5-(furan-2-ylmethyl)-1-methylimidazo[4,5-c]quinolin-4-one

C16H13N3O2 — CID 3077018

IUPAC5-(furan-2-ylmethyl)-1-methylimidazo[4,5-c]quinolin-4-one
SMILESCn1cnc2c(=O)n(Cc3ccco3)c3ccccc3c21
InChIInChI=1S/C16H13N3O2/c1-18-10-17-14-15(18)12-6-2-3-7-13(12)19(16(14)20)9-11-5-4-8-21-11/h2-8,10H,9H2,1H3
InChIKeyICJDHPWFXVPZJI-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.53
Rot. Bonds2

About 5-(furan-2-ylmethyl)-1-methylimidazo[4,5-c]quinolin-4-one

5-(furan-2-ylmethyl)-1-methylimidazo[4,5-c]quinolin-4-one (PubChem CID 3077018) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 5-(furan-2-ylmethyl)-1-methylimidazo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name5-(furan-2-ylmethyl)-1-methylimidazo[4,5-c]quinolin-4-one
PubChem CID3077018
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name5-(furan-2-ylmethyl)-1-methylimidazo[4,5-c]quinolin-4-one
SMILESCn1cnc2c(=O)n(Cc3ccco3)c3ccccc3c21
InChIInChI=1S/C16H13N3O2/c1-18-10-17-14-15(18)12-6-2-3-7-13(12)19(16(14)20)9-11-5-4-8-21-11/h2-8,10H,9H2,1H3
InChIKeyICJDHPWFXVPZJI-UHFFFAOYSA-N
XLogP2.53
TPSA52.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethyl)-1-methylimidazo[4,5-c]quinolin-4-one?
The IUPAC name of 5-(furan-2-ylmethyl)-1-methylimidazo[4,5-c]quinolin-4-one (CID 3077018) is 5-(furan-2-ylmethyl)-1-methylimidazo[4,5-c]quinolin-4-one.
What is the SMILES notation for 5-(furan-2-ylmethyl)-1-methylimidazo[4,5-c]quinolin-4-one?
The canonical SMILES for 5-(furan-2-ylmethyl)-1-methylimidazo[4,5-c]quinolin-4-one is Cn1cnc2c(=O)n(Cc3ccco3)c3ccccc3c21.
What is the InChIKey of 5-(furan-2-ylmethyl)-1-methylimidazo[4,5-c]quinolin-4-one?
The InChIKey is ICJDHPWFXVPZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-18-10-17-14-15(18)12-6-2-3-7-13(12)19(16(14)20)9-11-5-4-8-21-11/h2-8,10H,9H2,1H3.
What are the key properties of 5-(furan-2-ylmethyl)-1-methylimidazo[4,5-c]quinolin-4-one?
5-(furan-2-ylmethyl)-1-methylimidazo[4,5-c]quinolin-4-one has a molecular weight of 279.30 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethyl)-1-methylimidazo[4,5-c]quinolin-4-one is sourced from PubChem (CID 3077018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).