8-[6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-3-pyridinyl]-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one

C25H29N7O2 — CID 144847191

IUPAC8-[6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-3-pyridinyl]-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCN(N)/C=C(\N)c1ccc(-c2ccc3ncc4c(c3c2)n(C2CCC(O)CC2)c(=O)n4C)cn1
InChIInChI=1S/C25H29N7O2/c1-30(27)14-20(26)22-10-4-16(12-28-22)15-3-9-21-19(11-15)24-23(13-29-21)31(2)25(34)32(24)17-5-7-18(33)8-6-17/h3-4,9-14,17-18,33H,5-8,26-27H2,1-2H3/b20-14-
InChIKeySHNMHYPJOAZCMG-ZHZULCJRSA-N
MW459.55 g/mol
LogP2.49
Rot. Bonds4

About 8-[6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-3-pyridinyl]-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one

8-[6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-3-pyridinyl]-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 144847191) has the molecular formula C25H29N7O2 and a molecular weight of 459.55 g/mol. Its IUPAC name is 8-[6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-3-pyridinyl]-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-[6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-3-pyridinyl]-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID144847191
Molecular FormulaC25H29N7O2
Molecular Weight459.55 g/mol
Exact Mass459.24
IUPAC Name8-[6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-3-pyridinyl]-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCN(N)/C=C(\N)c1ccc(-c2ccc3ncc4c(c3c2)n(C2CCC(O)CC2)c(=O)n4C)cn1
InChIInChI=1S/C25H29N7O2/c1-30(27)14-20(26)22-10-4-16(12-28-22)15-3-9-21-19(11-15)24-23(13-29-21)31(2)25(34)32(24)17-5-7-18(33)8-6-17/h3-4,9-14,17-18,33H,5-8,26-27H2,1-2H3/b20-14-
InChIKeySHNMHYPJOAZCMG-ZHZULCJRSA-N
XLogP2.49
TPSA128.22 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

1-(4-hydroxycyclohexyl)-3-methyl-8-(1-phenylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 118101796
8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxetan-2-yl)imidazo[4,5-c]quinolin-2-one
CID 152570701
8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxolan-3-yl)imidazo[4,5-c]quinolin-2-one
CID 123853510
2-[4-[8-[6-[6-[1-[amino(methyl)amino]prop-1-en-2-yl]-3-pyridinyl]-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]-2-methylpropanenitrile
CID 123398932
8-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-1-[(1S,3S)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 129104397
3-methyl-1-(1-methylsulfonylpiperidin-4-yl)-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
CID 118101775
4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)cyclohexane-1-carboxylic acid
CID 122552647
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
3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-pyrrolidin-3-ylimidazo[4,5-c]quinolin-2-one
CID 118101793
1-(1-acetylpyrrolidin-3-yl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
CID 118101795
8-[6-(methoxymethyl)-3-pyridinyl]-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one
CID 130406066
tert-butyl 3-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 118101778

Frequently Asked Questions

What is the IUPAC name of 8-[6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-3-pyridinyl]-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-[6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-3-pyridinyl]-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one (CID 144847191) is 8-[6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-3-pyridinyl]-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-[6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-3-pyridinyl]-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-[6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-3-pyridinyl]-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one is CN(N)/C=C(\N)c1ccc(-c2ccc3ncc4c(c3c2)n(C2CCC(O)CC2)c(=O)n4C)cn1.
What is the InChIKey of 8-[6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-3-pyridinyl]-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is SHNMHYPJOAZCMG-ZHZULCJRSA-N. The full InChI is InChI=1S/C25H29N7O2/c1-30(27)14-20(26)22-10-4-16(12-28-22)15-3-9-21-19(11-15)24-23(13-29-21)31(2)25(34)32(24)17-5-7-18(33)8-6-17/h3-4,9-14,17-18,33H,5-8,26-27H2,1-2H3/b20-14-.
What are the key properties of 8-[6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-3-pyridinyl]-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one?
8-[6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-3-pyridinyl]-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 459.55 g/mol, XLogP of 2.49, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-3-pyridinyl]-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 144847191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).