4-[7-fluoro-2-methyl-8-[2-methyl-4-(4-methylpyrimidin-2-yl)oxyphenyl]imidazo[4,5-c]quinolin-1-yl]-4-methylpiperidine-1-carboxamide

C30H30FN7O2 — CID 121338041

IUPAC4-[7-fluoro-2-methyl-8-[2-methyl-4-(4-methylpyrimidin-2-yl)oxyphenyl]imidazo[4,5-c]quinolin-1-yl]-4-methylpiperidine-1-carboxamide
SMILESCc1ccnc(Oc2ccc(-c3cc4c(cc3F)ncc3nc(C)n(C5(C)CCN(C(N)=O)CC5)c34)c(C)c2)n1
InChIInChI=1S/C30H30FN7O2/c1-17-13-20(40-29-33-10-7-18(2)35-29)5-6-21(17)22-14-23-25(15-24(22)31)34-16-26-27(23)38(19(3)36-26)30(4)8-11-37(12-9-30)28(32)39/h5-7,10,13-16H,8-9,11-12H2,1-4H3,(H2,32,39)
InChIKeyLFYJJNJAVOFSMC-UHFFFAOYSA-N
MW539.62 g/mol
LogP5.79
Rot. Bonds4

About 4-[7-fluoro-2-methyl-8-[2-methyl-4-(4-methylpyrimidin-2-yl)oxyphenyl]imidazo[4,5-c]quinolin-1-yl]-4-methylpiperidine-1-carboxamide

4-[7-fluoro-2-methyl-8-[2-methyl-4-(4-methylpyrimidin-2-yl)oxyphenyl]imidazo[4,5-c]quinolin-1-yl]-4-methylpiperidine-1-carboxamide (PubChem CID 121338041) has the molecular formula C30H30FN7O2 and a molecular weight of 539.62 g/mol. Its IUPAC name is 4-[7-fluoro-2-methyl-8-[2-methyl-4-(4-methylpyrimidin-2-yl)oxyphenyl]imidazo[4,5-c]quinolin-1-yl]-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[7-fluoro-2-methyl-8-[2-methyl-4-(4-methylpyrimidin-2-yl)oxyphenyl]imidazo[4,5-c]quinolin-1-yl]-4-methylpiperidine-1-carboxamide
PubChem CID121338041
Molecular FormulaC30H30FN7O2
Molecular Weight539.62 g/mol
Exact Mass539.24
IUPAC Name4-[7-fluoro-2-methyl-8-[2-methyl-4-(4-methylpyrimidin-2-yl)oxyphenyl]imidazo[4,5-c]quinolin-1-yl]-4-methylpiperidine-1-carboxamide
SMILESCc1ccnc(Oc2ccc(-c3cc4c(cc3F)ncc3nc(C)n(C5(C)CCN(C(N)=O)CC5)c34)c(C)c2)n1
InChIInChI=1S/C30H30FN7O2/c1-17-13-20(40-29-33-10-7-18(2)35-29)5-6-21(17)22-14-23-25(15-24(22)31)34-16-26-27(23)38(19(3)36-26)30(4)8-11-37(12-9-30)28(32)39/h5-7,10,13-16H,8-9,11-12H2,1-4H3,(H2,32,39)
InChIKeyLFYJJNJAVOFSMC-UHFFFAOYSA-N
XLogP5.79
TPSA112.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.62
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[7-fluoro-2-methyl-8-[2-methyl-4-(4-methylpyrimidin-2-yl)oxyphenyl]imidazo[4,5-c]quinolin-1-yl]-4-methylpiperidine-1-carboxamide?
The IUPAC name of 4-[7-fluoro-2-methyl-8-[2-methyl-4-(4-methylpyrimidin-2-yl)oxyphenyl]imidazo[4,5-c]quinolin-1-yl]-4-methylpiperidine-1-carboxamide (CID 121338041) is 4-[7-fluoro-2-methyl-8-[2-methyl-4-(4-methylpyrimidin-2-yl)oxyphenyl]imidazo[4,5-c]quinolin-1-yl]-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[7-fluoro-2-methyl-8-[2-methyl-4-(4-methylpyrimidin-2-yl)oxyphenyl]imidazo[4,5-c]quinolin-1-yl]-4-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-[7-fluoro-2-methyl-8-[2-methyl-4-(4-methylpyrimidin-2-yl)oxyphenyl]imidazo[4,5-c]quinolin-1-yl]-4-methylpiperidine-1-carboxamide is Cc1ccnc(Oc2ccc(-c3cc4c(cc3F)ncc3nc(C)n(C5(C)CCN(C(N)=O)CC5)c34)c(C)c2)n1.
What is the InChIKey of 4-[7-fluoro-2-methyl-8-[2-methyl-4-(4-methylpyrimidin-2-yl)oxyphenyl]imidazo[4,5-c]quinolin-1-yl]-4-methylpiperidine-1-carboxamide?
The InChIKey is LFYJJNJAVOFSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30FN7O2/c1-17-13-20(40-29-33-10-7-18(2)35-29)5-6-21(17)22-14-23-25(15-24(22)31)34-16-26-27(23)38(19(3)36-26)30(4)8-11-37(12-9-30)28(32)39/h5-7,10,13-16H,8-9,11-12H2,1-4H3,(H2,32,39).
What are the key properties of 4-[7-fluoro-2-methyl-8-[2-methyl-4-(4-methylpyrimidin-2-yl)oxyphenyl]imidazo[4,5-c]quinolin-1-yl]-4-methylpiperidine-1-carboxamide?
4-[7-fluoro-2-methyl-8-[2-methyl-4-(4-methylpyrimidin-2-yl)oxyphenyl]imidazo[4,5-c]quinolin-1-yl]-4-methylpiperidine-1-carboxamide has a molecular weight of 539.62 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-fluoro-2-methyl-8-[2-methyl-4-(4-methylpyrimidin-2-yl)oxyphenyl]imidazo[4,5-c]quinolin-1-yl]-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 121338041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).