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

C15H14N4O — CID 137184532

IUPAC3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1nc2c([nH]1)CNCC2
InChIInChI=1S/C15H14N4O/c20-15-10(7-9-3-1-2-4-11(9)19-15)14-17-12-5-6-16-8-13(12)18-14/h1-4,7,16H,5-6,8H2,(H,17,18)(H,19,20)
InChIKeyKJBPPSORADHXST-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.56
Rot. Bonds1

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

3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-quinolin-2-one (PubChem CID 137184532) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-quinolin-2-one
PubChem CID137184532
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1nc2c([nH]1)CNCC2
InChIInChI=1S/C15H14N4O/c20-15-10(7-9-3-1-2-4-11(9)19-15)14-17-12-5-6-16-8-13(12)18-14/h1-4,7,16H,5-6,8H2,(H,17,18)(H,19,20)
InChIKeyKJBPPSORADHXST-UHFFFAOYSA-N
XLogP1.56
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-quinolin-2-one?
The IUPAC name of 3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-quinolin-2-one (CID 137184532) is 3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-quinolin-2-one.
What is the SMILES notation for 3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-quinolin-2-one?
The canonical SMILES for 3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1-c1nc2c([nH]1)CNCC2.
What is the InChIKey of 3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-quinolin-2-one?
The InChIKey is KJBPPSORADHXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c20-15-10(7-9-3-1-2-4-11(9)19-15)14-17-12-5-6-16-8-13(12)18-14/h1-4,7,16H,5-6,8H2,(H,17,18)(H,19,20).
What are the key properties of 3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-quinolin-2-one?
3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-quinolin-2-one has a molecular weight of 266.30 g/mol, XLogP of 1.56, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-quinolin-2-one is sourced from PubChem (CID 137184532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).