[4-(4-amino-2-fluorophenoxy)-7-(3-morpholin-4-ylpropoxy)quinolin-6-yl]methanol;N-[3-fluoro-4-[6-(hydroxymethyl)-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-[2-(4-fluorophenyl)acetyl]cyclopropane-1-carboxamide;[4-(2-fluoro-4-nitrophenoxy)-7-(3-morpholin-4-ylpropoxy)quinolin-6-yl]methanol;1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carbonyl chloride

C92H94ClF5N10O18 — CID 159498804

IUPAC[4-(4-amino-2-fluorophenoxy)-7-(3-morpholin-4-ylpropoxy)quinolin-6-yl]methanol;N-[3-fluoro-4-[6-(hydroxymethyl)-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-[2-(4-fluorophenyl)acetyl]cyclopropane-1-carboxamide;[4-(2-fluoro-4-nitrophenoxy)-7-(3-morpholin-4-ylpropoxy)quinolin-6-yl]methanol;1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carbonyl chloride
SMILESNc1ccc(Oc2ccnc3cc(OCCCN4CCOCC4)c(CO)cc23)c(F)c1.O=C(Cc1ccc(F)cc1)C1(C(=O)Nc2ccc(Oc3ccnc4cc(OCCCN5CCOCC5)c(CO)cc34)c(F)c2)CC1.O=C(Cl)C1(C(=O)Nc2ccc(F)cc2)CC1.O=[N+]([O-])c1ccc(Oc2ccnc3cc(OCCCN4CCOCC4)c(CO)cc23)c(F)c1
InChIInChI=1S/C35H35F2N3O6.C23H24FN3O6.C23H26FN3O4.C11H9ClFNO2/c36-25-4-2-23(3-5-25)18-33(42)35(9-10-35)34(43)39-26-6-7-31(28(37)20-26)46-30-8-11-38-29-21-32(24(22-41)19-27(29)30)45-15-1-12-40-13-16-44-17-14-40;24-19-13-17(27(29)30)2-3-22(19)33-21-4-5-25-20-14-23(16(15-28)12-18(20)21)32-9-1-6-26-7-10-31-11-8-26;24-19-13-17(25)2-3-22(19)31-21-4-5-26-20-14-23(16(15-28)12-18(20)21)30-9-1-6-27-7-10-29-11-8-27;12-9(15)11(5-6-11)10(16)14-8-3-1-7(13)2-4-8/h2-8,11,19-21,41H,1,9-10,12-18,22H2,(H,39,43);2-5,12-14,28H,1,6-11,15H2;2-5,12-14,28H,1,6-11,15,25H2;1-4H,5-6H2,(H,14,16)
InChIKeyLZCUXJCHWWSDKY-UHFFFAOYSA-N
MW1758.26 g/mol
LogP14.75
Rot. Bonds33

About [4-(4-amino-2-fluorophenoxy)-7-(3-morpholin-4-ylpropoxy)quinolin-6-yl]methanol;N-[3-fluoro-4-[6-(hydroxymethyl)-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-[2-(4-fluorophenyl)acetyl]cyclopropane-1-carboxamide;[4-(2-fluoro-4-nitrophenoxy)-7-(3-morpholin-4-ylpropoxy)quinolin-6-yl]methanol;1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carbonyl chloride

[4-(4-amino-2-fluorophenoxy)-7-(3-morpholin-4-ylpropoxy)quinolin-6-yl]methanol;N-[3-fluoro-4-[6-(hydroxymethyl)-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-[2-(4-fluorophenyl)acetyl]cyclopropane-1-carboxamide;[4-(2-fluoro-4-nitrophenoxy)-7-(3-morpholin-4-ylpropoxy)quinolin-6-yl]methanol;1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carbonyl chloride (PubChem CID 159498804) has the molecular formula C92H94ClF5N10O18 and a molecular weight of 1758.26 g/mol. Its IUPAC name is [4-(4-amino-2-fluorophenoxy)-7-(3-morpholin-4-ylpropoxy)quinolin-6-yl]methanol;N-[3-fluoro-4-[6-(hydroxymethyl)-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-[2-(4-fluorophenyl)acetyl]cyclopropane-1-carboxamide;[4-(2-fluoro-4-nitrophenoxy)-7-(3-morpholin-4-ylpropoxy)quinolin-6-yl]methanol;1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carbonyl chloride.

Molecular Properties

Compound Name[4-(4-amino-2-fluorophenoxy)-7-(3-morpholin-4-ylpropoxy)quinolin-6-yl]methanol;N-[3-fluoro-4-[6-(hydroxymethyl)-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-[2-(4-fluorophenyl)acetyl]cyclopropane-1-carboxamide;[4-(2-fluoro-4-nitrophenoxy)-7-(3-morpholin-4-ylpropoxy)quinolin-6-yl]methanol;1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carbonyl chloride
PubChem CID159498804
Molecular FormulaC92H94ClF5N10O18
Molecular Weight1758.26 g/mol
Exact Mass1756.64
IUPAC Name[4-(4-amino-2-fluorophenoxy)-7-(3-morpholin-4-ylpropoxy)quinolin-6-yl]methanol;N-[3-fluoro-4-[6-(hydroxymethyl)-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-[2-(4-fluorophenyl)acetyl]cyclopropane-1-carboxamide;[4-(2-fluoro-4-nitrophenoxy)-7-(3-morpholin-4-ylpropoxy)quinolin-6-yl]methanol;1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carbonyl chloride
SMILESNc1ccc(Oc2ccnc3cc(OCCCN4CCOCC4)c(CO)cc23)c(F)c1.O=C(Cc1ccc(F)cc1)C1(C(=O)Nc2ccc(Oc3ccnc4cc(OCCCN5CCOCC5)c(CO)cc34)c(F)c2)CC1.O=C(Cl)C1(C(=O)Nc2ccc(F)cc2)CC1.O=[N+]([O-])c1ccc(Oc2ccnc3cc(OCCCN4CCOCC4)c(CO)cc23)c(F)c1
InChIInChI=1S/C35H35F2N3O6.C23H24FN3O6.C23H26FN3O4.C11H9ClFNO2/c36-25-4-2-23(3-5-25)18-33(42)35(9-10-35)34(43)39-26-6-7-31(28(37)20-26)46-30-8-11-38-29-21-32(24(22-41)19-27(29)30)45-15-1-12-40-13-16-44-17-14-40;24-19-13-17(27(29)30)2-3-22(19)33-21-4-5-25-20-14-23(16(15-28)12-18(20)21)32-9-1-6-26-7-10-31-11-8-26;24-19-13-17(25)2-3-22(19)31-21-4-5-26-20-14-23(16(15-28)12-18(20)21)30-9-1-6-27-7-10-29-11-8-27;12-9(15)11(5-6-11)10(16)14-8-3-1-7(13)2-4-8/h2-8,11,19-21,41H,1,9-10,12-18,22H2,(H,39,43);2-5,12-14,28H,1,6-11,15H2;2-5,12-14,28H,1,6-11,15,25H2;1-4H,5-6H2,(H,14,16)
InChIKeyLZCUXJCHWWSDKY-UHFFFAOYSA-N
XLogP14.75
TPSA353.65 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds33
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001758.26
LogP ≤ 514.75
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze [4-(4-amino-2-fluorophenoxy)-7-(3-morpholin-4-ylpropoxy)quinolin-6-yl]methanol;N-[3-fluoro-4-[6-(hydroxymethyl)-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-[2-(4-fluorophenyl)acetyl]cyclopropane-1-carboxamide;[4-(2-fluoro-4-nitrophenoxy)-7-(3-morpholin-4-ylpropoxy)quinolin-6-yl]methanol;1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carbonyl chloride with MolForge

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Related Compounds

1-N'-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;hydrate
CID 53385812
4-[4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-7-(3-morpholin-4-ylpropoxy)quinoline-6-carboxamide
CID 162200789
1-N-(4-fluorophenyl)-1-N'-[3-fluoro-4-[[5-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]cyclopropane-1,1-dicarboxamide
CID 139408347
1-N-[[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]methyl]-1-N'-(4-fluorophenyl)-2,2-dimethylcyclopropane-1,1-dicarboxamide
CID 143025840
1-N'-[3-fluoro-4-[6-methoxy-7-[3-(morpholin-4-ylamino)propoxy]quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 139403816
3-N'-[2,5-difluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-N-(4-fluorophenyl)oxetane-3,3-dicarboxamide
CID 71285998
1-N'-[3-fluoro-4-[6-methoxy-7-[2-(morpholin-4-ylamino)ethoxy]quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 139323382
N-[[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]carbamothioyl]-2-(4-fluorophenyl)acetamide
CID 59791935
(3S)-3-[2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)-3-methylpyrrolidin-2-one
CID 58170154
N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-oxo-4-phenylbutanamide
CID 59791949
(1R)-2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 175762678
[4-chloro-7-(3-morpholin-4-ylpropoxy)quinolin-6-yl]methanol;[4-(2,4-dimethylphenoxy)-7-(3-morpholin-4-ylpropoxy)quinolin-6-yl]methanol;2-methyl-4-nitrophenol
CID 161450813

Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-2-fluorophenoxy)-7-(3-morpholin-4-ylpropoxy)quinolin-6-yl]methanol;N-[3-fluoro-4-[6-(hydroxymethyl)-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-[2-(4-fluorophenyl)acetyl]cyclopropane-1-carboxamide;[4-(2-fluoro-4-nitrophenoxy)-7-(3-morpholin-4-ylpropoxy)quinolin-6-yl]methanol;1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carbonyl chloride?
The IUPAC name of [4-(4-amino-2-fluorophenoxy)-7-(3-morpholin-4-ylpropoxy)quinolin-6-yl]methanol;N-[3-fluoro-4-[6-(hydroxymethyl)-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-[2-(4-fluorophenyl)acetyl]cyclopropane-1-carboxamide;[4-(2-fluoro-4-nitrophenoxy)-7-(3-morpholin-4-ylpropoxy)quinolin-6-yl]methanol;1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carbonyl chloride (CID 159498804) is [4-(4-amino-2-fluorophenoxy)-7-(3-morpholin-4-ylpropoxy)quinolin-6-yl]methanol;N-[3-fluoro-4-[6-(hydroxymethyl)-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-[2-(4-fluorophenyl)acetyl]cyclopropane-1-carboxamide;[4-(2-fluoro-4-nitrophenoxy)-7-(3-morpholin-4-ylpropoxy)quinolin-6-yl]methanol;1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carbonyl chloride.
What is the SMILES notation for [4-(4-amino-2-fluorophenoxy)-7-(3-morpholin-4-ylpropoxy)quinolin-6-yl]methanol;N-[3-fluoro-4-[6-(hydroxymethyl)-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-[2-(4-fluorophenyl)acetyl]cyclopropane-1-carboxamide;[4-(2-fluoro-4-nitrophenoxy)-7-(3-morpholin-4-ylpropoxy)quinolin-6-yl]methanol;1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carbonyl chloride?
The canonical SMILES for [4-(4-amino-2-fluorophenoxy)-7-(3-morpholin-4-ylpropoxy)quinolin-6-yl]methanol;N-[3-fluoro-4-[6-(hydroxymethyl)-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-[2-(4-fluorophenyl)acetyl]cyclopropane-1-carboxamide;[4-(2-fluoro-4-nitrophenoxy)-7-(3-morpholin-4-ylpropoxy)quinolin-6-yl]methanol;1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carbonyl chloride is Nc1ccc(Oc2ccnc3cc(OCCCN4CCOCC4)c(CO)cc23)c(F)c1.O=C(Cc1ccc(F)cc1)C1(C(=O)Nc2ccc(Oc3ccnc4cc(OCCCN5CCOCC5)c(CO)cc34)c(F)c2)CC1.O=C(Cl)C1(C(=O)Nc2ccc(F)cc2)CC1.O=[N+]([O-])c1ccc(Oc2ccnc3cc(OCCCN4CCOCC4)c(CO)cc23)c(F)c1.
What is the InChIKey of [4-(4-amino-2-fluorophenoxy)-7-(3-morpholin-4-ylpropoxy)quinolin-6-yl]methanol;N-[3-fluoro-4-[6-(hydroxymethyl)-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-[2-(4-fluorophenyl)acetyl]cyclopropane-1-carboxamide;[4-(2-fluoro-4-nitrophenoxy)-7-(3-morpholin-4-ylpropoxy)quinolin-6-yl]methanol;1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carbonyl chloride?
The InChIKey is LZCUXJCHWWSDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35F2N3O6.C23H24FN3O6.C23H26FN3O4.C11H9ClFNO2/c36-25-4-2-23(3-5-25)18-33(42)35(9-10-35)34(43)39-26-6-7-31(28(37)20-26)46-30-8-11-38-29-21-32(24(22-41)19-27(29)30)45-15-1-12-40-13-16-44-17-14-40;24-19-13-17(27(29)30)2-3-22(19)33-21-4-5-25-20-14-23(16(15-28)12-18(20)21)32-9-1-6-26-7-10-31-11-8-26;24-19-13-17(25)2-3-22(19)31-21-4-5-26-20-14-23(16(15-28)12-18(20)21)30-9-1-6-27-7-10-29-11-8-27;12-9(15)11(5-6-11)10(16)14-8-3-1-7(13)2-4-8/h2-8,11,19-21,41H,1,9-10,12-18,22H2,(H,39,43);2-5,12-14,28H,1,6-11,15H2;2-5,12-14,28H,1,6-11,15,25H2;1-4H,5-6H2,(H,14,16).
What are the key properties of [4-(4-amino-2-fluorophenoxy)-7-(3-morpholin-4-ylpropoxy)quinolin-6-yl]methanol;N-[3-fluoro-4-[6-(hydroxymethyl)-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-[2-(4-fluorophenyl)acetyl]cyclopropane-1-carboxamide;[4-(2-fluoro-4-nitrophenoxy)-7-(3-morpholin-4-ylpropoxy)quinolin-6-yl]methanol;1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carbonyl chloride?
[4-(4-amino-2-fluorophenoxy)-7-(3-morpholin-4-ylpropoxy)quinolin-6-yl]methanol;N-[3-fluoro-4-[6-(hydroxymethyl)-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-[2-(4-fluorophenyl)acetyl]cyclopropane-1-carboxamide;[4-(2-fluoro-4-nitrophenoxy)-7-(3-morpholin-4-ylpropoxy)quinolin-6-yl]methanol;1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carbonyl chloride has a molecular weight of 1758.26 g/mol, XLogP of 14.75, 33 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-2-fluorophenoxy)-7-(3-morpholin-4-ylpropoxy)quinolin-6-yl]methanol;N-[3-fluoro-4-[6-(hydroxymethyl)-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-[2-(4-fluorophenyl)acetyl]cyclopropane-1-carboxamide;[4-(2-fluoro-4-nitrophenoxy)-7-(3-morpholin-4-ylpropoxy)quinolin-6-yl]methanol;1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carbonyl chloride is sourced from PubChem (CID 159498804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).