2-(quinoline-3-carbonyl)-3H-quinazolin-4-one

C18H11N3O2 — CID 135457794

IUPAC2-(quinoline-3-carbonyl)-3H-quinazolin-4-one
SMILESO=C(c1cnc2ccccc2c1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H11N3O2/c22-16(12-9-11-5-1-3-7-14(11)19-10-12)17-20-15-8-4-2-6-13(15)18(23)21-17/h1-10H,(H,20,21,23)
InChIKeyHSEIGGKZBVNIDH-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.70
Rot. Bonds2

About 2-(quinoline-3-carbonyl)-3H-quinazolin-4-one

2-(quinoline-3-carbonyl)-3H-quinazolin-4-one (PubChem CID 135457794) has the molecular formula C18H11N3O2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-(quinoline-3-carbonyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(quinoline-3-carbonyl)-3H-quinazolin-4-one
PubChem CID135457794
Molecular FormulaC18H11N3O2
Molecular Weight301.31 g/mol
Exact Mass301.09
IUPAC Name2-(quinoline-3-carbonyl)-3H-quinazolin-4-one
SMILESO=C(c1cnc2ccccc2c1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H11N3O2/c22-16(12-9-11-5-1-3-7-14(11)19-10-12)17-20-15-8-4-2-6-13(15)18(23)21-17/h1-10H,(H,20,21,23)
InChIKeyHSEIGGKZBVNIDH-UHFFFAOYSA-N
XLogP2.70
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(quinoline-2-carbonyl)-3H-quinazolin-4-one
CID 137019869
carbonyl dichloride;quinoline-3-carboxylic acid
CID 175289113
quinoline-3-carboxylate
CID 4608508
2-(1-bromoethenyl)-3H-quinazolin-4-one
CID 136903471
2-(1-chloroethenyl)-3H-quinazolin-4-one
CID 136903470
CID 88968554
CID 88968554
4-oxo-N-phenyl-3H-quinazoline-2-carboxamide
CID 135794299
2-[(E)-1-chloro-2-(2-phenylpyrimidin-5-yl)ethenyl]-3H-quinazolin-4-one
CID 135960496
quinoline-3-carboxamide;hydrofluoride
CID 174911514
2,3-dihydro-1H-indol-5-yl(quinolin-3-yl)methanone
CID 116554096
2-(4-acetylpiperazine-1-carbonyl)-3H-quinazolin-4-one
CID 135966308
(4-methylsulfanylphenyl)-quinolin-3-ylmethanone
CID 114963133

Frequently Asked Questions

What is the IUPAC name of 2-(quinoline-3-carbonyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(quinoline-3-carbonyl)-3H-quinazolin-4-one (CID 135457794) is 2-(quinoline-3-carbonyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(quinoline-3-carbonyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(quinoline-3-carbonyl)-3H-quinazolin-4-one is O=C(c1cnc2ccccc2c1)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-(quinoline-3-carbonyl)-3H-quinazolin-4-one?
The InChIKey is HSEIGGKZBVNIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3O2/c22-16(12-9-11-5-1-3-7-14(11)19-10-12)17-20-15-8-4-2-6-13(15)18(23)21-17/h1-10H,(H,20,21,23).
What are the key properties of 2-(quinoline-3-carbonyl)-3H-quinazolin-4-one?
2-(quinoline-3-carbonyl)-3H-quinazolin-4-one has a molecular weight of 301.31 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(quinoline-3-carbonyl)-3H-quinazolin-4-one is sourced from PubChem (CID 135457794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).