2-[(2R,4S)-4-[8-chloro-2-[(3R)-oxolan-3-yl]imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]acetonitrile

C21H21ClN4O2 — CID 142423736

IUPAC2-[(2R,4S)-4-[8-chloro-2-[(3R)-oxolan-3-yl]imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]acetonitrile
SMILESN#CC[C@H]1C[C@@H](n2c([C@H]3CCOC3)nc3cnc4ccc(Cl)cc4c32)CCO1
InChIInChI=1S/C21H21ClN4O2/c22-14-1-2-18-17(9-14)20-19(11-24-18)25-21(13-4-7-27-12-13)26(20)15-5-8-28-16(10-15)3-6-23/h1-2,9,11,13,15-16H,3-5,7-8,10,12H2/t13-,15-,16-/m0/s1
InChIKeyAHQPJCUEBFHSCN-BPUTZDHNSA-N
MW396.88 g/mol
LogP4.38
Rot. Bonds3

About 2-[(2R,4S)-4-[8-chloro-2-[(3R)-oxolan-3-yl]imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]acetonitrile

2-[(2R,4S)-4-[8-chloro-2-[(3R)-oxolan-3-yl]imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]acetonitrile (PubChem CID 142423736) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is 2-[(2R,4S)-4-[8-chloro-2-[(3R)-oxolan-3-yl]imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[(2R,4S)-4-[8-chloro-2-[(3R)-oxolan-3-yl]imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]acetonitrile
PubChem CID142423736
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name2-[(2R,4S)-4-[8-chloro-2-[(3R)-oxolan-3-yl]imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]acetonitrile
SMILESN#CC[C@H]1C[C@@H](n2c([C@H]3CCOC3)nc3cnc4ccc(Cl)cc4c32)CCO1
InChIInChI=1S/C21H21ClN4O2/c22-14-1-2-18-17(9-14)20-19(11-24-18)25-21(13-4-7-27-12-13)26(20)15-5-8-28-16(10-15)3-6-23/h1-2,9,11,13,15-16H,3-5,7-8,10,12H2/t13-,15-,16-/m0/s1
InChIKeyAHQPJCUEBFHSCN-BPUTZDHNSA-N
XLogP4.38
TPSA72.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(2R,4S)-4-[8-chloro-2-[(3R)-oxolan-3-yl]imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]acetonitrile 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

2-[4-(8-chloro-2-methylimidazo[4,5-c]quinolin-1-yl)oxan-2-yl]acetonitrile
CID 142423887
2-[(2R,4S)-4-(8-chloro-2-ethylimidazo[4,5-c]quinolin-1-yl)oxan-2-yl]acetonitrile
CID 142423799
[(2S,4R)-4-[8-chloro-2-(3,3-difluorocyclobutyl)imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]methanol
CID 146339314
2-[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]acetonitrile
CID 126666563
[(2S,4R)-4-(8-chloro-2-cyclobutylimidazo[4,5-c]quinolin-1-yl)oxan-2-yl]methyl methanesulfonate
CID 162479693
8-chloro-2-(3,3-difluorocyclobutyl)-1-[(2R,4S)-2-(phenylmethoxymethyl)oxan-4-yl]imidazo[4,5-c]quinoline
CID 146316751
[(2S)-4-[8-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]methanol
CID 126712399
3-[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-2-methylpropanenitrile
CID 142423982
8-chloro-1-[(2R)-2-methyloxan-4-yl]-2-[(5-methyl-2-pyridinyl)methyl]imidazo[4,5-c]quinoline
CID 126712298
8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline
CID 126666578
3-[[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,2-oxazole
CID 126666729
2-(3-fluoro-3-methylcyclobutyl)-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile
CID 162679702

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4S)-4-[8-chloro-2-[(3R)-oxolan-3-yl]imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]acetonitrile?
The IUPAC name of 2-[(2R,4S)-4-[8-chloro-2-[(3R)-oxolan-3-yl]imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]acetonitrile (CID 142423736) is 2-[(2R,4S)-4-[8-chloro-2-[(3R)-oxolan-3-yl]imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]acetonitrile.
What is the SMILES notation for 2-[(2R,4S)-4-[8-chloro-2-[(3R)-oxolan-3-yl]imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]acetonitrile?
The canonical SMILES for 2-[(2R,4S)-4-[8-chloro-2-[(3R)-oxolan-3-yl]imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]acetonitrile is N#CC[C@H]1C[C@@H](n2c([C@H]3CCOC3)nc3cnc4ccc(Cl)cc4c32)CCO1.
What is the InChIKey of 2-[(2R,4S)-4-[8-chloro-2-[(3R)-oxolan-3-yl]imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]acetonitrile?
The InChIKey is AHQPJCUEBFHSCN-BPUTZDHNSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c22-14-1-2-18-17(9-14)20-19(11-24-18)25-21(13-4-7-27-12-13)26(20)15-5-8-28-16(10-15)3-6-23/h1-2,9,11,13,15-16H,3-5,7-8,10,12H2/t13-,15-,16-/m0/s1.
What are the key properties of 2-[(2R,4S)-4-[8-chloro-2-[(3R)-oxolan-3-yl]imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]acetonitrile?
2-[(2R,4S)-4-[8-chloro-2-[(3R)-oxolan-3-yl]imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]acetonitrile has a molecular weight of 396.88 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4S)-4-[8-chloro-2-[(3R)-oxolan-3-yl]imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]acetonitrile is sourced from PubChem (CID 142423736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).