6-(4-hydroxybut-1-enyl)-2-methyl-3H-quinazolin-4-one

C13H14N2O2 — CID 170477339

IUPAC6-(4-hydroxybut-1-enyl)-2-methyl-3H-quinazolin-4-one
SMILESCc1nc2ccc(C=CCCO)cc2c(=O)[nH]1
InChIInChI=1S/C13H14N2O2/c1-9-14-12-6-5-10(4-2-3-7-16)8-11(12)13(17)15-9/h2,4-6,8,16H,3,7H2,1H3,(H,14,15,17)
InChIKeyPOEFECPGGBHJFP-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.63
Rot. Bonds3

About 6-(4-hydroxybut-1-enyl)-2-methyl-3H-quinazolin-4-one

6-(4-hydroxybut-1-enyl)-2-methyl-3H-quinazolin-4-one (PubChem CID 170477339) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 6-(4-hydroxybut-1-enyl)-2-methyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-(4-hydroxybut-1-enyl)-2-methyl-3H-quinazolin-4-one
PubChem CID170477339
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name6-(4-hydroxybut-1-enyl)-2-methyl-3H-quinazolin-4-one
SMILESCc1nc2ccc(C=CCCO)cc2c(=O)[nH]1
InChIInChI=1S/C13H14N2O2/c1-9-14-12-6-5-10(4-2-3-7-16)8-11(12)13(17)15-9/h2,4-6,8,16H,3,7H2,1H3,(H,14,15,17)
InChIKeyPOEFECPGGBHJFP-UHFFFAOYSA-N
XLogP1.63
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methyl-3H-benzimidazol-5-yl)but-3-ene-1-thiol
CID 170478501
6-methoxy-2-methyl-3H-quinazolin-4-one
CID 135449497
6-(4-hydroxybut-1-enyl)-2H-isoquinolin-3-one
CID 170477313
2-methyl-6-methylsulfonyl-3H-quinazolin-4-one
CID 137009985
S-[3-(2-methyl-3H-benzimidazol-5-yl)prop-2-enyl] ethanethioate
CID 169457386
N-[3-(2-methyl-3H-benzimidazol-5-yl)prop-2-enyl]acetamide
CID 169465629
(E)-3-(2-methyl-3H-benzimidazol-5-yl)prop-2-enoic acid
CID 59470779
2-methyl-6-[(2-thiophen-2-ylethylamino)methyl]-3H-quinazolin-4-one
CID 154630764
4-[methyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]benzoic acid
CID 135815030
N-[3,4-dihydroxy-4-(2-methyl-4-oxo-3H-quinazolin-6-yl)butyl]acetamide
CID 171883870
4-naphthalen-2-ylbut-3-en-1-ol
CID 54291326
6,7-difluoro-2-methyl-3H-quinazolin-4-one
CID 135742282

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxybut-1-enyl)-2-methyl-3H-quinazolin-4-one?
The IUPAC name of 6-(4-hydroxybut-1-enyl)-2-methyl-3H-quinazolin-4-one (CID 170477339) is 6-(4-hydroxybut-1-enyl)-2-methyl-3H-quinazolin-4-one.
What is the SMILES notation for 6-(4-hydroxybut-1-enyl)-2-methyl-3H-quinazolin-4-one?
The canonical SMILES for 6-(4-hydroxybut-1-enyl)-2-methyl-3H-quinazolin-4-one is Cc1nc2ccc(C=CCCO)cc2c(=O)[nH]1.
What is the InChIKey of 6-(4-hydroxybut-1-enyl)-2-methyl-3H-quinazolin-4-one?
The InChIKey is POEFECPGGBHJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-14-12-6-5-10(4-2-3-7-16)8-11(12)13(17)15-9/h2,4-6,8,16H,3,7H2,1H3,(H,14,15,17).
What are the key properties of 6-(4-hydroxybut-1-enyl)-2-methyl-3H-quinazolin-4-one?
6-(4-hydroxybut-1-enyl)-2-methyl-3H-quinazolin-4-one has a molecular weight of 230.27 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxybut-1-enyl)-2-methyl-3H-quinazolin-4-one is sourced from PubChem (CID 170477339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).