2-[5-[1-[6-[(3R)-3-hydroxybutanimidoyl]-2-methyl-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-pyridinyl]-2-methylpropanenitrile

C30H29N7O2 — CID 174679210

IUPAC2-[5-[1-[6-[(3R)-3-hydroxybutanimidoyl]-2-methyl-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-pyridinyl]-2-methylpropanenitrile
SMILES[H]/N=C(/C[C@@H](C)O)c1ccc(-n2c(=O)n(C)c3cnc4ccc(-c5cncc(C(C)(C)C#N)c5)cc4c32)c(C)n1
InChIInChI=1S/C30H29N7O2/c1-17(38)10-23(32)25-8-9-26(18(2)35-25)37-28-22-12-19(20-11-21(14-33-13-20)30(3,4)16-31)6-7-24(22)34-15-27(28)36(5)29(37)39/h6-9,11-15,17,32,38H,10H2,1-5H3/b32-23-/t17-/m1/s1
InChIKeyIYZGFIBUVQYBJB-TWBYXCLDSA-N
MW519.61 g/mol
LogP4.58
Rot. Bonds6

About 2-[5-[1-[6-[(3R)-3-hydroxybutanimidoyl]-2-methyl-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-pyridinyl]-2-methylpropanenitrile

2-[5-[1-[6-[(3R)-3-hydroxybutanimidoyl]-2-methyl-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-pyridinyl]-2-methylpropanenitrile (PubChem CID 174679210) has the molecular formula C30H29N7O2 and a molecular weight of 519.61 g/mol. Its IUPAC name is 2-[5-[1-[6-[(3R)-3-hydroxybutanimidoyl]-2-methyl-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-pyridinyl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[5-[1-[6-[(3R)-3-hydroxybutanimidoyl]-2-methyl-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-pyridinyl]-2-methylpropanenitrile
PubChem CID174679210
Molecular FormulaC30H29N7O2
Molecular Weight519.61 g/mol
Exact Mass519.24
IUPAC Name2-[5-[1-[6-[(3R)-3-hydroxybutanimidoyl]-2-methyl-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-pyridinyl]-2-methylpropanenitrile
SMILES[H]/N=C(/C[C@@H](C)O)c1ccc(-n2c(=O)n(C)c3cnc4ccc(-c5cncc(C(C)(C)C#N)c5)cc4c32)c(C)n1
InChIInChI=1S/C30H29N7O2/c1-17(38)10-23(32)25-8-9-26(18(2)35-25)37-28-22-12-19(20-11-21(14-33-13-20)30(3,4)16-31)6-7-24(22)34-15-27(28)36(5)29(37)39/h6-9,11-15,17,32,38H,10H2,1-5H3/b32-23-/t17-/m1/s1
InChIKeyIYZGFIBUVQYBJB-TWBYXCLDSA-N
XLogP4.58
TPSA133.47 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.61
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[5-[1-[6-[(3R)-3-hydroxybutanimidoyl]-2-methyl-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-pyridinyl]-2-methylpropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dactolisib
CID 11977753
Samotolisib
CID 57519748
1-[2-(Dimethylamino)ethyl]-3-[4-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea
CID 163286331
3-Methyl-1-(oxan-4-yl)-8-pyridin-3-yl-imidazo[4,5-c]quinolin-2-one
CID 134163712
Nvp-bbd130
CID 11751126
2-Methyl-2-[4-(3-methyl-2-oxo-8-pyridin-4-yl-2,3-dihydro-imidazo[4,5-c]quinolin-1-yl)-phenyl]-propionitrile
CID 11957743
4-[2,3-Dihydro-3-methyl-2-oxo-8-(3-pyridinyl)-1H-imidazo[4,5-c]quinolin-1-yl]-I+/-,I+/--dimethylbenzeneacetonitrile
CID 11977649
1-[4-(3-Methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]cyclopropane-1-carbonitrile
CID 11979157
3-Methyl-1-phenyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one
CID 73977447
4-ethyl-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]piperazine-1-carboxamide
CID 163286314
N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-4-methylpiperazine-1-carboxamide
CID 163286340
1-(4-hydroxycyclohexyl)-8-(1H-indol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379519

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-[6-[(3R)-3-hydroxybutanimidoyl]-2-methyl-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-pyridinyl]-2-methylpropanenitrile?
The IUPAC name of 2-[5-[1-[6-[(3R)-3-hydroxybutanimidoyl]-2-methyl-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-pyridinyl]-2-methylpropanenitrile (CID 174679210) is 2-[5-[1-[6-[(3R)-3-hydroxybutanimidoyl]-2-methyl-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-pyridinyl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[5-[1-[6-[(3R)-3-hydroxybutanimidoyl]-2-methyl-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-pyridinyl]-2-methylpropanenitrile?
The canonical SMILES for 2-[5-[1-[6-[(3R)-3-hydroxybutanimidoyl]-2-methyl-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-pyridinyl]-2-methylpropanenitrile is [H]/N=C(/C[C@@H](C)O)c1ccc(-n2c(=O)n(C)c3cnc4ccc(-c5cncc(C(C)(C)C#N)c5)cc4c32)c(C)n1.
What is the InChIKey of 2-[5-[1-[6-[(3R)-3-hydroxybutanimidoyl]-2-methyl-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-pyridinyl]-2-methylpropanenitrile?
The InChIKey is IYZGFIBUVQYBJB-TWBYXCLDSA-N. The full InChI is InChI=1S/C30H29N7O2/c1-17(38)10-23(32)25-8-9-26(18(2)35-25)37-28-22-12-19(20-11-21(14-33-13-20)30(3,4)16-31)6-7-24(22)34-15-27(28)36(5)29(37)39/h6-9,11-15,17,32,38H,10H2,1-5H3/b32-23-/t17-/m1/s1.
What are the key properties of 2-[5-[1-[6-[(3R)-3-hydroxybutanimidoyl]-2-methyl-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-pyridinyl]-2-methylpropanenitrile?
2-[5-[1-[6-[(3R)-3-hydroxybutanimidoyl]-2-methyl-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-pyridinyl]-2-methylpropanenitrile has a molecular weight of 519.61 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-[6-[(3R)-3-hydroxybutanimidoyl]-2-methyl-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-pyridinyl]-2-methylpropanenitrile is sourced from PubChem (CID 174679210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).