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

C23H20N4O2 — CID 137258775

IUPACN-(4-anilinophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C23H20N4O2/c28-22(15-14-21-26-20-9-5-4-8-19(20)23(29)27-21)25-18-12-10-17(11-13-18)24-16-6-2-1-3-7-16/h1-13,24H,14-15H2,(H,25,28)(H,26,27,29)
InChIKeyXHAYBGNCOOGMOS-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.24
Rot. Bonds6

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

N-(4-anilinophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide (PubChem CID 137258775) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-(4-anilinophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
PubChem CID137258775
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC NameN-(4-anilinophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C23H20N4O2/c28-22(15-14-21-26-20-9-5-4-8-19(20)23(29)27-21)25-18-12-10-17(11-13-18)24-16-6-2-1-3-7-16/h1-13,24H,14-15H2,(H,25,28)(H,26,27,29)
InChIKeyXHAYBGNCOOGMOS-UHFFFAOYSA-N
XLogP4.24
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-bromophenoxy)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135893495
N-(4-bromo-3-methylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135767361
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137278194
N-[6-(dimethylamino)-3-pyridinyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135570381
N-(1H-benzimidazol-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135830175
(2-anilino-2-oxoethyl) 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 135782994
N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135582650
N-(3-hydroxy-2-pyridinyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135711256
N-(3-fluorophenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135756626
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-[4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]phenyl]pyridine-4-carboxamide
CID 167947829

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The IUPAC name of N-(4-anilinophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide (CID 137258775) is N-(4-anilinophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide.
What is the SMILES notation for N-(4-anilinophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The canonical SMILES for N-(4-anilinophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide is O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of N-(4-anilinophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The InChIKey is XHAYBGNCOOGMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c28-22(15-14-21-26-20-9-5-4-8-19(20)23(29)27-21)25-18-12-10-17(11-13-18)24-16-6-2-1-3-7-16/h1-13,24H,14-15H2,(H,25,28)(H,26,27,29).
What are the key properties of N-(4-anilinophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
N-(4-anilinophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide has a molecular weight of 384.44 g/mol, XLogP of 4.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide is sourced from PubChem (CID 137258775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).