2-amino-1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]ethanone;1-[4-[8-[2-chloro-4-(4-methoxy-6-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-methylpiperidin-1-yl]-2-hydroxyethanone;1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-(hydroxymethyl)piperidin-1-yl]-2-hydroxyethanone;4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-methylpiperidine-1-carboxamide;1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]-2-methoxyethanone

C146H134Cl5F5N32O15 — CID 158120292

IUPAC2-amino-1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]ethanone;1-[4-[8-[2-chloro-4-(4-methoxy-6-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-methylpiperidin-1-yl]-2-hydroxyethanone;1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-(hydroxymethyl)piperidin-1-yl]-2-hydroxyethanone;4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-methylpiperidine-1-carboxamide;1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(n2c(C)nc3cnc4cc(F)c(-c5ccc(Oc6nccc(C)n6)cc5Cl)cc4c32)CC1.COc1cc(C)nc(Oc2ccc(-c3cc4c(cc3F)ncc3ncn(C5(C)CCN(C(=O)CO)CC5)c34)c(Cl)c2)n1.Cc1ccnc(Oc2ccc(-c3cc4c(cc3F)ncc3nc(C)n(C5CCN(C(=O)CN)CC5)c34)c(Cl)c2)n1.Cc1ccnc(Oc2ccc(-c3cc4c(cc3F)ncc3ncn(C5(C)CCN(C(N)=O)CC5)c34)c(Cl)c2)n1.Cc1ccnc(Oc2ccc(-c3cc4c(cc3F)ncc3ncn(C5(CO)CCN(C(=O)CO)CC5)c34)c(Cl)c2)n1
InChIInChI=1S/C30H28ClFN6O4.C30H28ClFN6O3.C29H27ClFN7O2.C29H26ClFN6O4.C28H25ClFN7O2/c1-17-10-26(41-3)36-29(35-17)42-18-4-5-19(22(31)11-18)20-12-21-24(13-23(20)32)33-14-25-28(21)38(16-34-25)30(2)6-8-37(9-7-30)27(40)15-39;1-17-6-9-33-30(35-17)41-20-4-5-21(24(31)12-20)22-13-23-26(14-25(22)32)34-15-27-29(23)38(18(2)36-27)19-7-10-37(11-8-19)28(39)16-40-3;1-16-5-8-33-29(35-16)40-19-3-4-20(23(30)11-19)21-12-22-25(13-24(21)31)34-15-26-28(22)38(17(2)36-26)18-6-9-37(10-7-18)27(39)14-32;1-17-4-7-32-28(35-17)41-18-2-3-19(22(30)10-18)20-11-21-24(12-23(20)31)33-13-25-27(21)37(16-34-25)29(15-39)5-8-36(9-6-29)26(40)14-38;1-16-5-8-32-27(35-16)39-17-3-4-18(21(29)11-17)19-12-20-23(13-22(19)30)33-14-24-25(20)37(15-34-24)28(2)6-9-36(10-7-28)26(31)38/h4-5,10-14,16,39H,6-9,15H2,1-3H3;4-6,9,12-15,19H,7-8,10-11,16H2,1-3H3;3-5,8,11-13,15,18H,6-7,9-10,14,32H2,1-2H3;2-4,7,10-13,16,38-39H,5-6,8-9,14-15H2,1H3;3-5,8,11-15H,6-7,9-10H2,1-2H3,(H2,31,38)
InChIKeyFRNFYLISSKEPAV-UHFFFAOYSA-N
MW2849.14 g/mol
LogP26.75
Rot. Bonds27

About 2-amino-1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]ethanone;1-[4-[8-[2-chloro-4-(4-methoxy-6-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-methylpiperidin-1-yl]-2-hydroxyethanone;1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-(hydroxymethyl)piperidin-1-yl]-2-hydroxyethanone;4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-methylpiperidine-1-carboxamide;1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]-2-methoxyethanone

2-amino-1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]ethanone;1-[4-[8-[2-chloro-4-(4-methoxy-6-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-methylpiperidin-1-yl]-2-hydroxyethanone;1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-(hydroxymethyl)piperidin-1-yl]-2-hydroxyethanone;4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-methylpiperidine-1-carboxamide;1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]-2-methoxyethanone (PubChem CID 158120292) has the molecular formula C146H134Cl5F5N32O15 and a molecular weight of 2849.14 g/mol. Its IUPAC name is 2-amino-1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]ethanone;1-[4-[8-[2-chloro-4-(4-methoxy-6-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-methylpiperidin-1-yl]-2-hydroxyethanone;1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-(hydroxymethyl)piperidin-1-yl]-2-hydroxyethanone;4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-methylpiperidine-1-carboxamide;1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name2-amino-1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]ethanone;1-[4-[8-[2-chloro-4-(4-methoxy-6-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-methylpiperidin-1-yl]-2-hydroxyethanone;1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-(hydroxymethyl)piperidin-1-yl]-2-hydroxyethanone;4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-methylpiperidine-1-carboxamide;1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]-2-methoxyethanone
PubChem CID158120292
Molecular FormulaC146H134Cl5F5N32O15
Molecular Weight2849.14 g/mol
Exact Mass2844.91
IUPAC Name2-amino-1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]ethanone;1-[4-[8-[2-chloro-4-(4-methoxy-6-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-methylpiperidin-1-yl]-2-hydroxyethanone;1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-(hydroxymethyl)piperidin-1-yl]-2-hydroxyethanone;4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-methylpiperidine-1-carboxamide;1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(n2c(C)nc3cnc4cc(F)c(-c5ccc(Oc6nccc(C)n6)cc5Cl)cc4c32)CC1.COc1cc(C)nc(Oc2ccc(-c3cc4c(cc3F)ncc3ncn(C5(C)CCN(C(=O)CO)CC5)c34)c(Cl)c2)n1.Cc1ccnc(Oc2ccc(-c3cc4c(cc3F)ncc3nc(C)n(C5CCN(C(=O)CN)CC5)c34)c(Cl)c2)n1.Cc1ccnc(Oc2ccc(-c3cc4c(cc3F)ncc3ncn(C5(C)CCN(C(N)=O)CC5)c34)c(Cl)c2)n1.Cc1ccnc(Oc2ccc(-c3cc4c(cc3F)ncc3ncn(C5(CO)CCN(C(=O)CO)CC5)c34)c(Cl)c2)n1
InChIInChI=1S/C30H28ClFN6O4.C30H28ClFN6O3.C29H27ClFN7O2.C29H26ClFN6O4.C28H25ClFN7O2/c1-17-10-26(41-3)36-29(35-17)42-18-4-5-19(22(31)11-18)20-12-21-24(13-23(20)32)33-14-25-28(21)38(16-34-25)30(2)6-8-37(9-7-30)27(40)15-39;1-17-6-9-33-30(35-17)41-20-4-5-21(24(31)12-20)22-13-23-26(14-25(22)32)34-15-27-29(23)38(18(2)36-27)19-7-10-37(11-8-19)28(39)16-40-3;1-16-5-8-33-29(35-16)40-19-3-4-20(23(30)11-19)21-12-22-25(13-24(21)31)34-15-26-28(22)38(17(2)36-26)18-6-9-37(10-7-18)27(39)14-32;1-17-4-7-32-28(35-17)41-18-2-3-19(22(30)10-18)20-11-21-24(12-23(20)31)33-13-25-27(21)37(16-34-25)29(15-39)5-8-36(9-6-29)26(40)14-38;1-16-5-8-32-27(35-16)39-17-3-4-18(21(29)11-17)19-12-20-23(13-22(19)30)33-14-24-25(20)37(15-34-24)28(2)6-9-36(10-7-28)26(31)38/h4-5,10-14,16,39H,6-9,15H2,1-3H3;4-6,9,12-15,19H,7-8,10-11,16H2,1-3H3;3-5,8,11-13,15,18H,6-7,9-10,14,32H2,1-2H3;2-4,7,10-13,16,38-39H,5-6,8-9,14-15H2,1H3;3-5,8,11-15H,6-7,9-10H2,1-2H3,(H2,31,38)
InChIKeyFRNFYLISSKEPAV-UHFFFAOYSA-N
XLogP26.75
TPSA561.34 Ų
H-Bond Donors5
H-Bond Acceptors41
Rotatable Bonds27
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002849.14
LogP ≤ 526.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1041

Analyze 2-amino-1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]ethanone;1-[4-[8-[2-chloro-4-(4-methoxy-6-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-methylpiperidin-1-yl]-2-hydroxyethanone;1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-(hydroxymethyl)piperidin-1-yl]-2-hydroxyethanone;4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-methylpiperidine-1-carboxamide;1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]-2-methoxyethanone with MolForge

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Launch Full Analysis

Related Compounds

Map855
CID 90647159
1-[(3S,4S)-4-[8-(2-chloro-4-pyrimidin-2-yloxyphenyl)-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]-3-fluoropiperidin-1-yl]-2-methoxyethanone
CID 117876240
1-[4-[8-(2-Chloro-4-pyrimidin-2-yloxyphenyl)-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]-2-hydroxyethanone
CID 117876620
1-[(3S,4S)-4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]-3-fluoropiperidin-1-yl]-2-hydroxyethanone
CID 117889915
1-[(3S,4S)-4-[8-[2-chloro-4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]-3-fluoropiperidin-1-yl]-2-hydroxyethanone
CID 117876697
1-[4-[8-[2-Chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]-2-methoxyethanone
CID 117876237
1-[4-[8-(2-Chloro-4-pyrimidin-2-yloxyphenyl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-methylpiperidin-1-yl]-2-hydroxyethanone
CID 117876336
[2-[(3S,4S)-4-[8-(2-chloro-4-pyrimidin-2-yloxyphenyl)-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]-3-fluoropiperidin-1-yl]-2-oxoethyl] acetate
CID 117876571
1-[4-[8-(2-Chloro-4-pyrimidin-2-yloxyphenyl)-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]-2-methoxyethanone
CID 117876637
(2S)-1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]-2-hydroxypropan-1-one
CID 117876642
1-[4-[8-[2-Chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]-2-hydroxypropan-1-one
CID 117876643
US10011599, Example 1B
CID 117876723

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]ethanone;1-[4-[8-[2-chloro-4-(4-methoxy-6-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-methylpiperidin-1-yl]-2-hydroxyethanone;1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-(hydroxymethyl)piperidin-1-yl]-2-hydroxyethanone;4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-methylpiperidine-1-carboxamide;1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 2-amino-1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]ethanone;1-[4-[8-[2-chloro-4-(4-methoxy-6-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-methylpiperidin-1-yl]-2-hydroxyethanone;1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-(hydroxymethyl)piperidin-1-yl]-2-hydroxyethanone;4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-methylpiperidine-1-carboxamide;1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]-2-methoxyethanone (CID 158120292) is 2-amino-1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]ethanone;1-[4-[8-[2-chloro-4-(4-methoxy-6-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-methylpiperidin-1-yl]-2-hydroxyethanone;1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-(hydroxymethyl)piperidin-1-yl]-2-hydroxyethanone;4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-methylpiperidine-1-carboxamide;1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 2-amino-1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]ethanone;1-[4-[8-[2-chloro-4-(4-methoxy-6-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-methylpiperidin-1-yl]-2-hydroxyethanone;1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-(hydroxymethyl)piperidin-1-yl]-2-hydroxyethanone;4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-methylpiperidine-1-carboxamide;1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 2-amino-1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]ethanone;1-[4-[8-[2-chloro-4-(4-methoxy-6-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-methylpiperidin-1-yl]-2-hydroxyethanone;1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-(hydroxymethyl)piperidin-1-yl]-2-hydroxyethanone;4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-methylpiperidine-1-carboxamide;1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCC(n2c(C)nc3cnc4cc(F)c(-c5ccc(Oc6nccc(C)n6)cc5Cl)cc4c32)CC1.COc1cc(C)nc(Oc2ccc(-c3cc4c(cc3F)ncc3ncn(C5(C)CCN(C(=O)CO)CC5)c34)c(Cl)c2)n1.Cc1ccnc(Oc2ccc(-c3cc4c(cc3F)ncc3nc(C)n(C5CCN(C(=O)CN)CC5)c34)c(Cl)c2)n1.Cc1ccnc(Oc2ccc(-c3cc4c(cc3F)ncc3ncn(C5(C)CCN(C(N)=O)CC5)c34)c(Cl)c2)n1.Cc1ccnc(Oc2ccc(-c3cc4c(cc3F)ncc3ncn(C5(CO)CCN(C(=O)CO)CC5)c34)c(Cl)c2)n1.
What is the InChIKey of 2-amino-1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]ethanone;1-[4-[8-[2-chloro-4-(4-methoxy-6-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-methylpiperidin-1-yl]-2-hydroxyethanone;1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-(hydroxymethyl)piperidin-1-yl]-2-hydroxyethanone;4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-methylpiperidine-1-carboxamide;1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]-2-methoxyethanone?
The InChIKey is FRNFYLISSKEPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClFN6O4.C30H28ClFN6O3.C29H27ClFN7O2.C29H26ClFN6O4.C28H25ClFN7O2/c1-17-10-26(41-3)36-29(35-17)42-18-4-5-19(22(31)11-18)20-12-21-24(13-23(20)32)33-14-25-28(21)38(16-34-25)30(2)6-8-37(9-7-30)27(40)15-39;1-17-6-9-33-30(35-17)41-20-4-5-21(24(31)12-20)22-13-23-26(14-25(22)32)34-15-27-29(23)38(18(2)36-27)19-7-10-37(11-8-19)28(39)16-40-3;1-16-5-8-33-29(35-16)40-19-3-4-20(23(30)11-19)21-12-22-25(13-24(21)31)34-15-26-28(22)38(17(2)36-26)18-6-9-37(10-7-18)27(39)14-32;1-17-4-7-32-28(35-17)41-18-2-3-19(22(30)10-18)20-11-21-24(12-23(20)31)33-13-25-27(21)37(16-34-25)29(15-39)5-8-36(9-6-29)26(40)14-38;1-16-5-8-32-27(35-16)39-17-3-4-18(21(29)11-17)19-12-20-23(13-22(19)30)33-14-24-25(20)37(15-34-24)28(2)6-9-36(10-7-28)26(31)38/h4-5,10-14,16,39H,6-9,15H2,1-3H3;4-6,9,12-15,19H,7-8,10-11,16H2,1-3H3;3-5,8,11-13,15,18H,6-7,9-10,14,32H2,1-2H3;2-4,7,10-13,16,38-39H,5-6,8-9,14-15H2,1H3;3-5,8,11-15H,6-7,9-10H2,1-2H3,(H2,31,38).
What are the key properties of 2-amino-1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]ethanone;1-[4-[8-[2-chloro-4-(4-methoxy-6-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-methylpiperidin-1-yl]-2-hydroxyethanone;1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-(hydroxymethyl)piperidin-1-yl]-2-hydroxyethanone;4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-methylpiperidine-1-carboxamide;1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]-2-methoxyethanone?
2-amino-1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]ethanone;1-[4-[8-[2-chloro-4-(4-methoxy-6-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-methylpiperidin-1-yl]-2-hydroxyethanone;1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-(hydroxymethyl)piperidin-1-yl]-2-hydroxyethanone;4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-methylpiperidine-1-carboxamide;1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]-2-methoxyethanone has a molecular weight of 2849.14 g/mol, XLogP of 26.75, 27 rotatable bonds, 5 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]ethanone;1-[4-[8-[2-chloro-4-(4-methoxy-6-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-methylpiperidin-1-yl]-2-hydroxyethanone;1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-(hydroxymethyl)piperidin-1-yl]-2-hydroxyethanone;4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoroimidazo[4,5-c]quinolin-1-yl]-4-methylpiperidine-1-carboxamide;1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 158120292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).