N-[4-[(2S)-2-(3-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide

C22H18ClN3O2 — CID 41063967

IUPACN-[4-[(2S)-2-(3-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc(Cl)c2)cc1
InChIInChI=1S/C22H18ClN3O2/c1-14(27)24-17-9-11-18(12-10-17)26-21(15-5-4-6-16(23)13-15)25-20-8-3-2-7-19(20)22(26)28/h2-13,21,25H,1H3,(H,24,27)/t21-/m0/s1
InChIKeyQMQMCVGTUVGYPU-NRFANRHFSA-N
MW391.86 g/mol
LogP5.07
Rot. Bonds3

About N-[4-[(2S)-2-(3-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide

N-[4-[(2S)-2-(3-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide (PubChem CID 41063967) has the molecular formula C22H18ClN3O2 and a molecular weight of 391.86 g/mol. Its IUPAC name is N-[4-[(2S)-2-(3-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2S)-2-(3-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide
PubChem CID41063967
Molecular FormulaC22H18ClN3O2
Molecular Weight391.86 g/mol
Exact Mass391.11
IUPAC NameN-[4-[(2S)-2-(3-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc(Cl)c2)cc1
InChIInChI=1S/C22H18ClN3O2/c1-14(27)24-17-9-11-18(12-10-17)26-21(15-5-4-6-16(23)13-15)25-20-8-3-2-7-19(20)22(26)28/h2-13,21,25H,1H3,(H,24,27)/t21-/m0/s1
InChIKeyQMQMCVGTUVGYPU-NRFANRHFSA-N
XLogP5.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.86
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2S)-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl]phenyl]acetamide
CID 41064100
(2S)-2-(3-chlorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 2507080
N-[4-[(2S)-2-(2-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide
CID 40900265
N-[4-[(2R)-2-(4-bromophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide
CID 41064297
N-[4-[2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide
CID 3988866
N-[4-[3-(3-chloro-4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide
CID 42915002
3-(4-chlorophenyl)-2-(3-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 2888645
N-(4-fluorophenyl)-2-[3-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
CID 4516747
(2S)-3-(4-chlorophenyl)-2-(3,4-dihydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 25408198
N-[4-[[2-methoxy-5-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]methoxy]phenyl]acetamide
CID 2887852
N-[4-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide
CID 2174419
(2S)-2-(3-chlorophenyl)-3-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-1,2-dihydroquinazolin-4-one
CID 136747752

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-2-(3-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[(2S)-2-(3-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide (CID 41063967) is N-[4-[(2S)-2-(3-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2S)-2-(3-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2S)-2-(3-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc(Cl)c2)cc1.
What is the InChIKey of N-[4-[(2S)-2-(3-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide?
The InChIKey is QMQMCVGTUVGYPU-NRFANRHFSA-N. The full InChI is InChI=1S/C22H18ClN3O2/c1-14(27)24-17-9-11-18(12-10-17)26-21(15-5-4-6-16(23)13-15)25-20-8-3-2-7-19(20)22(26)28/h2-13,21,25H,1H3,(H,24,27)/t21-/m0/s1.
What are the key properties of N-[4-[(2S)-2-(3-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide?
N-[4-[(2S)-2-(3-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide has a molecular weight of 391.86 g/mol, XLogP of 5.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-2-(3-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide is sourced from PubChem (CID 41063967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).