2-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide

C20H16N6O — CID 176873022

IUPAC2-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
SMILESC[C@H](NC(=O)Cc1nc2c(cnc3ccc(C#N)cc32)[nH]1)c1ccccn1
InChIInChI=1S/C20H16N6O/c1-12(15-4-2-3-7-22-15)24-19(27)9-18-25-17-11-23-16-6-5-13(10-21)8-14(16)20(17)26-18/h2-8,11-12H,9H2,1H3,(H,24,27)(H,25,26)/t12-/m0/s1
InChIKeyZATAHVCKMAEBEP-LBPRGKRZSA-N
MW356.39 g/mol
LogP2.80
Rot. Bonds4

About 2-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide

2-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide (PubChem CID 176873022) has the molecular formula C20H16N6O and a molecular weight of 356.39 g/mol. Its IUPAC name is 2-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
PubChem CID176873022
Molecular FormulaC20H16N6O
Molecular Weight356.39 g/mol
Exact Mass356.14
IUPAC Name2-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
SMILESC[C@H](NC(=O)Cc1nc2c(cnc3ccc(C#N)cc32)[nH]1)c1ccccn1
InChIInChI=1S/C20H16N6O/c1-12(15-4-2-3-7-22-15)24-19(27)9-18-25-17-11-23-16-6-5-13(10-21)8-14(16)20(17)26-18/h2-8,11-12H,9H2,1H3,(H,24,27)(H,25,26)/t12-/m0/s1
InChIKeyZATAHVCKMAEBEP-LBPRGKRZSA-N
XLogP2.80
TPSA107.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide with MolForge

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Related Compounds

3-(1H-benzimidazol-2-yl)-N-(1-pyridin-2-ylethyl)propanamide
CID 43045567
2-[difluoro(pyridin-2-yl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
CID 126712441
1-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-(cyclopropylmethyl)methanesulfonamide
CID 176873172
2-[(5-methylsulfonyl-2-pyridinyl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
CID 170582675
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
2-(2-hydroxyphenyl)-N-(1-pyridin-2-ylethyl)acetamide
CID 78990806
2-(4-methylphenyl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 25337547
2-(3,4-dichlorophenyl)-N-(1-pyridin-2-ylethyl)acetamide
CID 47097455
2-(4-benzoylphenoxy)-N-(1-pyridin-2-ylethyl)acetamide
CID 112758991
2-bromo-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 81401514
2-(2-chlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 25337037
2-(6-methyl-1-benzofuran-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 41194976

Frequently Asked Questions

What is the IUPAC name of 2-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide?
The IUPAC name of 2-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide (CID 176873022) is 2-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide.
What is the SMILES notation for 2-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide?
The canonical SMILES for 2-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide is C[C@H](NC(=O)Cc1nc2c(cnc3ccc(C#N)cc32)[nH]1)c1ccccn1.
What is the InChIKey of 2-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide?
The InChIKey is ZATAHVCKMAEBEP-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H16N6O/c1-12(15-4-2-3-7-22-15)24-19(27)9-18-25-17-11-23-16-6-5-13(10-21)8-14(16)20(17)26-18/h2-8,11-12H,9H2,1H3,(H,24,27)(H,25,26)/t12-/m0/s1.
What are the key properties of 2-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide?
2-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide has a molecular weight of 356.39 g/mol, XLogP of 2.80, 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-[(1S)-1-pyridin-2-ylethyl]acetamide is sourced from PubChem (CID 176873022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).