2-[(E)-3-(furan-2-yl)prop-2-enoyl]-3H-quinazolin-4-one

C15H10N2O3 — CID 155512469

IUPAC2-[(E)-3-(furan-2-yl)prop-2-enoyl]-3H-quinazolin-4-one
SMILESO=C(/C=C/c1ccco1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H10N2O3/c18-13(8-7-10-4-3-9-20-10)14-16-12-6-2-1-5-11(12)15(19)17-14/h1-9H,(H,16,17,19)/b8-7+
InChIKeyPHIXCOXYIXCTEF-BQYQJAHWSA-N
MW266.26 g/mol
LogP2.41
Rot. Bonds3

About 2-[(E)-3-(furan-2-yl)prop-2-enoyl]-3H-quinazolin-4-one

2-[(E)-3-(furan-2-yl)prop-2-enoyl]-3H-quinazolin-4-one (PubChem CID 155512469) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-[(E)-3-(furan-2-yl)prop-2-enoyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(E)-3-(furan-2-yl)prop-2-enoyl]-3H-quinazolin-4-one
PubChem CID155512469
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name2-[(E)-3-(furan-2-yl)prop-2-enoyl]-3H-quinazolin-4-one
SMILESO=C(/C=C/c1ccco1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H10N2O3/c18-13(8-7-10-4-3-9-20-10)14-16-12-6-2-1-5-11(12)15(19)17-14/h1-9H,(H,16,17,19)/b8-7+
InChIKeyPHIXCOXYIXCTEF-BQYQJAHWSA-N
XLogP2.41
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4(3H)-Quinazolinone, 3-furfuryl-2-methyl-
CID 64027
2-(4-Methoxyphenyl)quinazolin-4-ol
CID 135430309
2-(4-ethoxyphenyl)-3H-quinazolin-4-one
CID 135567247
3-[(E)-furan-2-ylmethylideneamino]-2-methylquinazolin-4-one
CID 5344841
2-phenoxymethyl-3H-quinazolin-4-one
CID 135416161
2-(2-ethoxyphenyl)-4-(3H)-quinazolone
CID 136006573
2-amino-N-(furan-2-ylmethyl)benzamide
CID 841269
2-Furan-2-yl-3-phenethyl-3H-quinazolin-4-one
CID 683379
N-(4-oxo-4H-3,1-benzothiazin-2-yl)-2-furamide
CID 2810063
(2E)-3-(2-furyl)-N-(11-oxo-6,8,9,11-tetrahydro-7H-pyrido[2,1-b]quinazolin-2-yl)acrylamide
CID 16193590
2-[(E)-2-(3-prop-2-enoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135681131
2-[2-[(E)-2-(4-oxo-3H-quinazolin-2-yl)ethenyl]phenoxy]acetonitrile
CID 135681138

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-(furan-2-yl)prop-2-enoyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(E)-3-(furan-2-yl)prop-2-enoyl]-3H-quinazolin-4-one (CID 155512469) is 2-[(E)-3-(furan-2-yl)prop-2-enoyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(E)-3-(furan-2-yl)prop-2-enoyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(E)-3-(furan-2-yl)prop-2-enoyl]-3H-quinazolin-4-one is O=C(/C=C/c1ccco1)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[(E)-3-(furan-2-yl)prop-2-enoyl]-3H-quinazolin-4-one?
The InChIKey is PHIXCOXYIXCTEF-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H10N2O3/c18-13(8-7-10-4-3-9-20-10)14-16-12-6-2-1-5-11(12)15(19)17-14/h1-9H,(H,16,17,19)/b8-7+.
What are the key properties of 2-[(E)-3-(furan-2-yl)prop-2-enoyl]-3H-quinazolin-4-one?
2-[(E)-3-(furan-2-yl)prop-2-enoyl]-3H-quinazolin-4-one has a molecular weight of 266.26 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-(furan-2-yl)prop-2-enoyl]-3H-quinazolin-4-one is sourced from PubChem (CID 155512469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).