8-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-1-[(1S,3S)-3-methoxycyclohexyl]-3-methylimidazo[4,5-c]quinolin-2-one

C29H36N6O2 — CID 129104514

IUPAC8-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-1-[(1S,3S)-3-methoxycyclohexyl]-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCO[C@H]1CCC[C@H](n2c(=O)n(C)c3cnc4ccc(-c5ccc(N6CC[C@@H](N(C)C)C6)nc5)cc4c32)C1
InChIInChI=1S/C29H36N6O2/c1-32(2)22-12-13-34(18-22)27-11-9-20(16-31-27)19-8-10-25-24(14-19)28-26(17-30-25)33(3)29(36)35(28)21-6-5-7-23(15-21)37-4/h8-11,14,16-17,21-23H,5-7,12-13,15,18H2,1-4H3/t21-,22+,23-/m0/s1
InChIKeyDXZYVYGWDPLJKL-ZRBLBEILSA-N
MW500.65 g/mol
LogP4.22
Rot. Bonds5

About 8-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-1-[(1S,3S)-3-methoxycyclohexyl]-3-methylimidazo[4,5-c]quinolin-2-one

8-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-1-[(1S,3S)-3-methoxycyclohexyl]-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 129104514) has the molecular formula C29H36N6O2 and a molecular weight of 500.65 g/mol. Its IUPAC name is 8-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-1-[(1S,3S)-3-methoxycyclohexyl]-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-1-[(1S,3S)-3-methoxycyclohexyl]-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID129104514
Molecular FormulaC29H36N6O2
Molecular Weight500.65 g/mol
Exact Mass500.29
IUPAC Name8-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-1-[(1S,3S)-3-methoxycyclohexyl]-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCO[C@H]1CCC[C@H](n2c(=O)n(C)c3cnc4ccc(-c5ccc(N6CC[C@@H](N(C)C)C6)nc5)cc4c32)C1
InChIInChI=1S/C29H36N6O2/c1-32(2)22-12-13-34(18-22)27-11-9-20(16-31-27)19-8-10-25-24(14-19)28-26(17-30-25)33(3)29(36)35(28)21-6-5-7-23(15-21)37-4/h8-11,14,16-17,21-23H,5-7,12-13,15,18H2,1-4H3/t21-,22+,23-/m0/s1
InChIKeyDXZYVYGWDPLJKL-ZRBLBEILSA-N
XLogP4.22
TPSA68.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.65
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-1-[(1S,3S)-3-methoxycyclohexyl]-3-methylimidazo[4,5-c]quinolin-2-one with MolForge

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Related Compounds

8-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-1-[(1S,3S)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 129104397
8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-3-methyl-1-[(3S)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one
CID 129120531
8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-[(3S)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one
CID 129104509
8-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-1-[(1R,3R)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]cinnolin-2-one
CID 138494829
8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-4-[(1S,3S)-3-methoxycyclopentyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one
CID 129104378
3-methyl-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-8-(6-pyrazol-1-yl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one
CID 118101881
8-[6-(methoxymethyl)-3-pyridinyl]-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one
CID 130406066
3-methyl-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-8-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
CID 118101820
8-bromo-7-fluoro-1-[(1S,3R)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one;8-bromo-7-fluoro-1-[(1R,3S)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 159491069
1-cyclobutyl-3-methyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;2,2,2-trifluoroacetic acid
CID 118523405
8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxetan-2-yl)imidazo[4,5-c]quinolin-2-one
CID 152570701
N-cyclopentyl-N-[6-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-3-methylquinolin-4-yl]acetamide
CID 145305825

Frequently Asked Questions

What is the IUPAC name of 8-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-1-[(1S,3S)-3-methoxycyclohexyl]-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-1-[(1S,3S)-3-methoxycyclohexyl]-3-methylimidazo[4,5-c]quinolin-2-one (CID 129104514) is 8-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-1-[(1S,3S)-3-methoxycyclohexyl]-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-1-[(1S,3S)-3-methoxycyclohexyl]-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-1-[(1S,3S)-3-methoxycyclohexyl]-3-methylimidazo[4,5-c]quinolin-2-one is CO[C@H]1CCC[C@H](n2c(=O)n(C)c3cnc4ccc(-c5ccc(N6CC[C@@H](N(C)C)C6)nc5)cc4c32)C1.
What is the InChIKey of 8-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-1-[(1S,3S)-3-methoxycyclohexyl]-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is DXZYVYGWDPLJKL-ZRBLBEILSA-N. The full InChI is InChI=1S/C29H36N6O2/c1-32(2)22-12-13-34(18-22)27-11-9-20(16-31-27)19-8-10-25-24(14-19)28-26(17-30-25)33(3)29(36)35(28)21-6-5-7-23(15-21)37-4/h8-11,14,16-17,21-23H,5-7,12-13,15,18H2,1-4H3/t21-,22+,23-/m0/s1.
What are the key properties of 8-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-1-[(1S,3S)-3-methoxycyclohexyl]-3-methylimidazo[4,5-c]quinolin-2-one?
8-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-1-[(1S,3S)-3-methoxycyclohexyl]-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 500.65 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-1-[(1S,3S)-3-methoxycyclohexyl]-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 129104514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).