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

C18H11N3O2 — CID 137019869

IUPAC2-(quinoline-2-carbonyl)-3H-quinazolin-4-one
SMILESO=C(c1ccc2ccccc2n1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H11N3O2/c22-16(15-10-9-11-5-1-3-7-13(11)19-15)17-20-14-8-4-2-6-12(14)18(23)21-17/h1-10H,(H,20,21,23)
InChIKeyPWKUDDRANBQEKU-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.70
Rot. Bonds2

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

2-(quinoline-2-carbonyl)-3H-quinazolin-4-one (PubChem CID 137019869) has the molecular formula C18H11N3O2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-(quinoline-2-carbonyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(quinoline-2-carbonyl)-3H-quinazolin-4-one
PubChem CID137019869
Molecular FormulaC18H11N3O2
Molecular Weight301.31 g/mol
Exact Mass301.09
IUPAC Name2-(quinoline-2-carbonyl)-3H-quinazolin-4-one
SMILESO=C(c1ccc2ccccc2n1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H11N3O2/c22-16(15-10-9-11-5-1-3-7-13(11)19-15)17-20-14-8-4-2-6-12(14)18(23)21-17/h1-10H,(H,20,21,23)
InChIKeyPWKUDDRANBQEKU-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-3-carbonyl)-3H-quinazolin-4-one
CID 135457794
1-(4-oxo-3H-quinazolin-2-yl)ethyl quinoline-2-carboxylate
CID 135881200
2-(1-bromoethenyl)-3H-quinazolin-4-one
CID 136903471
2-(1-chloroethenyl)-3H-quinazolin-4-one
CID 136903470
4-oxo-N-phenyl-3H-quinazoline-2-carboxamide
CID 135794299
N-(2-aminoethyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 135629189
copper;quinoline-2-carboxylic acid
CID 68537473
europium;quinoline-2-carboxylic acid
CID 87730482
potassium;hydride;quinoline-2-carboxylic acid
CID 174828478
N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-2-carboxamide
CID 135848512
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-(4-acetylpiperazine-1-carbonyl)-3H-quinazolin-4-one
CID 135966308

Frequently Asked Questions

What is the IUPAC name of 2-(quinoline-2-carbonyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(quinoline-2-carbonyl)-3H-quinazolin-4-one (CID 137019869) is 2-(quinoline-2-carbonyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(quinoline-2-carbonyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(quinoline-2-carbonyl)-3H-quinazolin-4-one is O=C(c1ccc2ccccc2n1)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-(quinoline-2-carbonyl)-3H-quinazolin-4-one?
The InChIKey is PWKUDDRANBQEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3O2/c22-16(15-10-9-11-5-1-3-7-13(11)19-15)17-20-14-8-4-2-6-12(14)18(23)21-17/h1-10H,(H,20,21,23).
What are the key properties of 2-(quinoline-2-carbonyl)-3H-quinazolin-4-one?
2-(quinoline-2-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-2-carbonyl)-3H-quinazolin-4-one is sourced from PubChem (CID 137019869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).