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

C24H21N3O2 — CID 135724863

IUPACN-benzhydryl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21N3O2/c28-22(16-15-21-25-20-14-8-7-13-19(20)24(29)26-21)27-23(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,23H,15-16H2,(H,27,28)(H,25,26,29)
InChIKeyHUBGQSZPQXLUOF-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.76
Rot. Bonds6

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

N-benzhydryl-3-(4-oxo-3H-quinazolin-2-yl)propanamide (PubChem CID 135724863) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-benzhydryl-3-(4-oxo-3H-quinazolin-2-yl)propanamide.

Molecular Properties

Compound NameN-benzhydryl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
PubChem CID135724863
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC NameN-benzhydryl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21N3O2/c28-22(16-15-21-25-20-14-8-7-13-19(20)24(29)26-21)27-23(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,23H,15-16H2,(H,27,28)(H,25,26,29)
InChIKeyHUBGQSZPQXLUOF-UHFFFAOYSA-N
XLogP3.76
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-phenylpropyl]propanamide
CID 135566841
3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 136743264
N-[1-(2-chlorophenyl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135993503
N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135901571
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135794841
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135711282
N-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137097401
4-[4-(4-oxo-3H-quinazolin-2-yl)butanoylamino]-4-phenylbutanoic acid
CID 136990447
N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135872878
3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide
CID 135636453
N-[(R)-(4-chlorophenyl)-cyclopropylmethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135625093
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135797631

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The IUPAC name of N-benzhydryl-3-(4-oxo-3H-quinazolin-2-yl)propanamide (CID 135724863) is N-benzhydryl-3-(4-oxo-3H-quinazolin-2-yl)propanamide.
What is the SMILES notation for N-benzhydryl-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The canonical SMILES for N-benzhydryl-3-(4-oxo-3H-quinazolin-2-yl)propanamide is O=C(CCc1nc2ccccc2c(=O)[nH]1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The InChIKey is HUBGQSZPQXLUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c28-22(16-15-21-25-20-14-8-7-13-19(20)24(29)26-21)27-23(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,23H,15-16H2,(H,27,28)(H,25,26,29).
What are the key properties of N-benzhydryl-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
N-benzhydryl-3-(4-oxo-3H-quinazolin-2-yl)propanamide has a molecular weight of 383.45 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-(4-oxo-3H-quinazolin-2-yl)propanamide is sourced from PubChem (CID 135724863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).