7-methyl-3-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]-1H-quinolin-2-one

C16H16N4O — CID 95128460

IUPAC7-methyl-3-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]-1H-quinolin-2-one
SMILESCc1ccc2cc([C@@H]3NCCc4[nH]cnc43)c(=O)[nH]c2c1
InChIInChI=1S/C16H16N4O/c1-9-2-3-10-7-11(16(21)20-13(10)6-9)14-15-12(4-5-17-14)18-8-19-15/h2-3,6-8,14,17H,4-5H2,1H3,(H,18,19)(H,20,21)/t14-/m0/s1
InChIKeyJRMJSKUSBUICPN-AWEZNQCLSA-N
MW280.33 g/mol
LogP1.79
Rot. Bonds1

About 7-methyl-3-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]-1H-quinolin-2-one

7-methyl-3-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]-1H-quinolin-2-one (PubChem CID 95128460) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 7-methyl-3-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-methyl-3-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]-1H-quinolin-2-one
PubChem CID95128460
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name7-methyl-3-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]-1H-quinolin-2-one
SMILESCc1ccc2cc([C@@H]3NCCc4[nH]cnc43)c(=O)[nH]c2c1
InChIInChI=1S/C16H16N4O/c1-9-2-3-10-7-11(16(21)20-13(10)6-9)14-15-12(4-5-17-14)18-8-19-15/h2-3,6-8,14,17H,4-5H2,1H3,(H,18,19)(H,20,21)/t14-/m0/s1
InChIKeyJRMJSKUSBUICPN-AWEZNQCLSA-N
XLogP1.79
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]-1H-quinolin-2-one?
The IUPAC name of 7-methyl-3-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]-1H-quinolin-2-one (CID 95128460) is 7-methyl-3-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]-1H-quinolin-2-one.
What is the SMILES notation for 7-methyl-3-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]-1H-quinolin-2-one?
The canonical SMILES for 7-methyl-3-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]-1H-quinolin-2-one is Cc1ccc2cc([C@@H]3NCCc4[nH]cnc43)c(=O)[nH]c2c1.
What is the InChIKey of 7-methyl-3-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]-1H-quinolin-2-one?
The InChIKey is JRMJSKUSBUICPN-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H16N4O/c1-9-2-3-10-7-11(16(21)20-13(10)6-9)14-15-12(4-5-17-14)18-8-19-15/h2-3,6-8,14,17H,4-5H2,1H3,(H,18,19)(H,20,21)/t14-/m0/s1.
What are the key properties of 7-methyl-3-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]-1H-quinolin-2-one?
7-methyl-3-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]-1H-quinolin-2-one has a molecular weight of 280.33 g/mol, XLogP of 1.79, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]-1H-quinolin-2-one is sourced from PubChem (CID 95128460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).