N-(3-hydroxy-2-pyridinyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide

C16H14N4O3 — CID 135711256

IUPACN-(3-hydroxy-2-pyridinyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ncccc1O
InChIInChI=1S/C16H14N4O3/c21-12-6-3-9-17-15(12)20-14(22)8-7-13-18-11-5-2-1-4-10(11)16(23)19-13/h1-6,9,21H,7-8H2,(H,17,20,22)(H,18,19,23)
InChIKeyUVEUUKZSUMMECH-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.60
Rot. Bonds4

About N-(3-hydroxy-2-pyridinyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide

N-(3-hydroxy-2-pyridinyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide (PubChem CID 135711256) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is N-(3-hydroxy-2-pyridinyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-pyridinyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
PubChem CID135711256
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC NameN-(3-hydroxy-2-pyridinyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ncccc1O
InChIInChI=1S/C16H14N4O3/c21-12-6-3-9-17-15(12)20-14(22)8-7-13-18-11-5-2-1-4-10(11)16(23)19-13/h1-6,9,21H,7-8H2,(H,17,20,22)(H,18,19,23)
InChIKeyUVEUUKZSUMMECH-UHFFFAOYSA-N
XLogP1.60
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-anilinophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137258775
N-(1H-benzimidazol-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135830175
N-(5-methyl-1,3-thiazol-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135819555
N-[6-(dimethylamino)-3-pyridinyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135570381
4-hydroxy-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide
CID 135767696
N-benzhydryl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135724863
3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide
CID 135636453
N-[2-(2-chlorophenoxy)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137284840
3-(4-oxo-3H-quinazolin-2-yl)-N-prop-2-ynylpropanamide
CID 135687166
4-(4-oxo-3H-quinazolin-2-yl)-N-quinolin-3-ylbutanamide
CID 135939873
N-(2-methylbutan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135522437
N-[4-(4-bromophenoxy)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135893495

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-pyridinyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The IUPAC name of N-(3-hydroxy-2-pyridinyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide (CID 135711256) is N-(3-hydroxy-2-pyridinyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide.
What is the SMILES notation for N-(3-hydroxy-2-pyridinyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The canonical SMILES for N-(3-hydroxy-2-pyridinyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide is O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ncccc1O.
What is the InChIKey of N-(3-hydroxy-2-pyridinyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The InChIKey is UVEUUKZSUMMECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c21-12-6-3-9-17-15(12)20-14(22)8-7-13-18-11-5-2-1-4-10(11)16(23)19-13/h1-6,9,21H,7-8H2,(H,17,20,22)(H,18,19,23).
What are the key properties of N-(3-hydroxy-2-pyridinyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
N-(3-hydroxy-2-pyridinyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide has a molecular weight of 310.31 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-pyridinyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide is sourced from PubChem (CID 135711256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).