3-(furan-2-ylmethyl)-4-oxoquinazoline-2-carbonitrile

C14H9N3O2 — CID 86081653

IUPAC3-(furan-2-ylmethyl)-4-oxoquinazoline-2-carbonitrile
SMILESN#Cc1nc2ccccc2c(=O)n1Cc1ccco1
InChIInChI=1S/C14H9N3O2/c15-8-13-16-12-6-2-1-5-11(12)14(18)17(13)9-10-4-3-7-19-10/h1-7H,9H2
InChIKeyJZOFAGMGVRLPTP-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.91
Rot. Bonds2

About 3-(furan-2-ylmethyl)-4-oxoquinazoline-2-carbonitrile

3-(furan-2-ylmethyl)-4-oxoquinazoline-2-carbonitrile (PubChem CID 86081653) has the molecular formula C14H9N3O2 and a molecular weight of 251.25 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-4-oxoquinazoline-2-carbonitrile.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-4-oxoquinazoline-2-carbonitrile
PubChem CID86081653
Molecular FormulaC14H9N3O2
Molecular Weight251.25 g/mol
Exact Mass251.07
IUPAC Name3-(furan-2-ylmethyl)-4-oxoquinazoline-2-carbonitrile
SMILESN#Cc1nc2ccccc2c(=O)n1Cc1ccco1
InChIInChI=1S/C14H9N3O2/c15-8-13-16-12-6-2-1-5-11(12)14(18)17(13)9-10-4-3-7-19-10/h1-7H,9H2
InChIKeyJZOFAGMGVRLPTP-UHFFFAOYSA-N
XLogP1.91
TPSA71.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(furan-2-ylmethyl)-4-oxoquinazoline-2-carbonitrile 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

3-ethyl-4-oxoquinazoline-2-carbonitrile
CID 10655605
1-[[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]methyl]-5-nitro-2-oxopyridine-3-carbonitrile
CID 25499747
3-(furan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-one
CID 71368139
N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16510943
2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-naphthalen-1-ylacetamide
CID 1162834
3-[(Z)-2-iodo-3-phenylprop-2-enyl]-4-oxoquinazoline-2-carbonitrile
CID 11429869
4-[[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide
CID 26962068
2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 2669103
3-(furan-2-ylmethyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinazolin-4-one
CID 17022349
N-butan-2-yl-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 5211162
N-[4-[2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylpropanoyl]phenyl]acetamide
CID 112776353
2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 2490048

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-4-oxoquinazoline-2-carbonitrile?
The IUPAC name of 3-(furan-2-ylmethyl)-4-oxoquinazoline-2-carbonitrile (CID 86081653) is 3-(furan-2-ylmethyl)-4-oxoquinazoline-2-carbonitrile.
What is the SMILES notation for 3-(furan-2-ylmethyl)-4-oxoquinazoline-2-carbonitrile?
The canonical SMILES for 3-(furan-2-ylmethyl)-4-oxoquinazoline-2-carbonitrile is N#Cc1nc2ccccc2c(=O)n1Cc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethyl)-4-oxoquinazoline-2-carbonitrile?
The InChIKey is JZOFAGMGVRLPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O2/c15-8-13-16-12-6-2-1-5-11(12)14(18)17(13)9-10-4-3-7-19-10/h1-7H,9H2.
What are the key properties of 3-(furan-2-ylmethyl)-4-oxoquinazoline-2-carbonitrile?
3-(furan-2-ylmethyl)-4-oxoquinazoline-2-carbonitrile has a molecular weight of 251.25 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-4-oxoquinazoline-2-carbonitrile is sourced from PubChem (CID 86081653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).