2-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C18H17N5O2 — CID 176873132

IUPAC2-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESN#Cc1ccc2ncc3[nH]c(CC(=O)NC[C@@H]4CCCO4)nc3c2c1
InChIInChI=1S/C18H17N5O2/c19-8-11-3-4-14-13(6-11)18-15(10-20-14)22-16(23-18)7-17(24)21-9-12-2-1-5-25-12/h3-4,6,10,12H,1-2,5,7,9H2,(H,21,24)(H,22,23)/t12-/m0/s1
InChIKeyXCUBSUOTCQIWCD-LBPRGKRZSA-N
MW335.37 g/mol
LogP1.82
Rot. Bonds4

About 2-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 176873132) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 2-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID176873132
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name2-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESN#Cc1ccc2ncc3[nH]c(CC(=O)NC[C@@H]4CCCO4)nc3c2c1
InChIInChI=1S/C18H17N5O2/c19-8-11-3-4-14-13(6-11)18-15(10-20-14)22-16(23-18)7-17(24)21-9-12-2-1-5-25-12/h3-4,6,10,12H,1-2,5,7,9H2,(H,21,24)(H,22,23)/t12-/m0/s1
InChIKeyXCUBSUOTCQIWCD-LBPRGKRZSA-N
XLogP1.82
TPSA103.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide 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-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 176873022
2-methyloxane;2-(1,2-oxazol-3-ylmethyl)-3H-imidazo[4,5-c]quinoline-8-carbonitrile
CID 145275567
2-(4-cyano-2-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 2492539
2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 108994419
2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252493
3-(4-cyanoanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 109015978
2-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 91837583
5-(4-cyanophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 97429668
N-(oxolan-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 3383149
3-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 122559676
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 31883592
4-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206901

Frequently Asked Questions

What is the IUPAC name of 2-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 176873132) is 2-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide is N#Cc1ccc2ncc3[nH]c(CC(=O)NC[C@@H]4CCCO4)nc3c2c1.
What is the InChIKey of 2-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is XCUBSUOTCQIWCD-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17N5O2/c19-8-11-3-4-14-13(6-11)18-15(10-20-14)22-16(23-18)7-17(24)21-9-12-2-1-5-25-12/h3-4,6,10,12H,1-2,5,7,9H2,(H,21,24)(H,22,23)/t12-/m0/s1.
What are the key properties of 2-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 335.37 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 176873132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).