2-hydroxy-5-(4-oxo-3H-quinazolin-2-yl)benzamide

C15H11N3O3 — CID 168552834

IUPAC2-hydroxy-5-(4-oxo-3H-quinazolin-2-yl)benzamide
SMILESNC(=O)c1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1O
InChIInChI=1S/C15H11N3O3/c16-13(20)10-7-8(5-6-12(10)19)14-17-11-4-2-1-3-9(11)15(21)18-14/h1-7,19H,(H2,16,20)(H,17,18,21)
InChIKeyDUCYKNTVIRHNQU-UHFFFAOYSA-N
MW281.27 g/mol
LogP1.39
Rot. Bonds2

About 2-hydroxy-5-(4-oxo-3H-quinazolin-2-yl)benzamide

2-hydroxy-5-(4-oxo-3H-quinazolin-2-yl)benzamide (PubChem CID 168552834) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-hydroxy-5-(4-oxo-3H-quinazolin-2-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-5-(4-oxo-3H-quinazolin-2-yl)benzamide
PubChem CID168552834
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name2-hydroxy-5-(4-oxo-3H-quinazolin-2-yl)benzamide
SMILESNC(=O)c1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1O
InChIInChI=1S/C15H11N3O3/c16-13(20)10-7-8(5-6-12(10)19)14-17-11-4-2-1-3-9(11)15(21)18-14/h1-7,19H,(H2,16,20)(H,17,18,21)
InChIKeyDUCYKNTVIRHNQU-UHFFFAOYSA-N
XLogP1.39
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)benzoate
CID 168550749
2-(4-hydroxy-3-phenylmethoxyphenyl)-3H-quinazolin-4-one
CID 168550890
5-(1H-benzimidazol-2-yl)-2-hydroxybenzoic acid
CID 136510486
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-(4-bromophenyl)-3H-quinazolin-4-one
CID 135421564
2-(2-amino-1,3-benzothiazol-6-yl)-3H-quinazolin-4-one
CID 168552705
N-[3-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide
CID 137125323
4-hydroxy-3-(4-oxo-3H-quinazolin-2-yl)benzohydrazide
CID 135794634
6,7-dihydroxy-2-phenyl-3H-quinazolin-4-one
CID 137014833
2-(3,5-dichlorophenyl)-3H-quinazolin-4-one
CID 168550718
2-[4-(3,5-dichlorophenyl)phenyl]-3H-quinazolin-4-one
CID 168551464
3-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]prop-2-enoic acid
CID 168551832

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(4-oxo-3H-quinazolin-2-yl)benzamide?
The IUPAC name of 2-hydroxy-5-(4-oxo-3H-quinazolin-2-yl)benzamide (CID 168552834) is 2-hydroxy-5-(4-oxo-3H-quinazolin-2-yl)benzamide.
What is the SMILES notation for 2-hydroxy-5-(4-oxo-3H-quinazolin-2-yl)benzamide?
The canonical SMILES for 2-hydroxy-5-(4-oxo-3H-quinazolin-2-yl)benzamide is NC(=O)c1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1O.
What is the InChIKey of 2-hydroxy-5-(4-oxo-3H-quinazolin-2-yl)benzamide?
The InChIKey is DUCYKNTVIRHNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c16-13(20)10-7-8(5-6-12(10)19)14-17-11-4-2-1-3-9(11)15(21)18-14/h1-7,19H,(H2,16,20)(H,17,18,21).
What are the key properties of 2-hydroxy-5-(4-oxo-3H-quinazolin-2-yl)benzamide?
2-hydroxy-5-(4-oxo-3H-quinazolin-2-yl)benzamide has a molecular weight of 281.27 g/mol, XLogP of 1.39, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(4-oxo-3H-quinazolin-2-yl)benzamide is sourced from PubChem (CID 168552834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).