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

C23H21N3O3 — CID 2174419

IUPACN-[4-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide
SMILESCOc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1ccc(NC(C)=O)cc1
InChIInChI=1S/C23H21N3O3/c1-15(27)24-17-13-11-16(12-14-17)22-25-19-8-4-3-7-18(19)23(28)26(22)20-9-5-6-10-21(20)29-2/h3-14,22,25H,1-2H3,(H,24,27)/t22-/m0/s1
InChIKeyYLDJJNCLADUVFP-QFIPXVFZSA-N
MW387.44 g/mol
LogP4.42
Rot. Bonds4

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

N-[4-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide (PubChem CID 2174419) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[4-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide
PubChem CID2174419
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC NameN-[4-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide
SMILESCOc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1ccc(NC(C)=O)cc1
InChIInChI=1S/C23H21N3O3/c1-15(27)24-17-13-11-16(12-14-17)22-25-19-8-4-3-7-18(19)23(28)26(22)20-9-5-6-10-21(20)29-2/h3-14,22,25H,1-2H3,(H,24,27)/t22-/m0/s1
InChIKeyYLDJJNCLADUVFP-QFIPXVFZSA-N
XLogP4.42
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007508
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
(2R)-2-(3-hydroxy-4-methoxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007456
N-[4-[(2S)-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl]phenyl]acetamide
CID 41064100
N-[4-[(2R)-2-(4-bromophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide
CID 41064297
N-[4-[[2-methoxy-5-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]methoxy]phenyl]acetamide
CID 2887852
2-(3-ethoxy-4-hydroxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 658545
2-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 2962498
(2R)-2-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1302513
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9328285
(2S)-3-(2-methoxyphenyl)-2-(2,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007459

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide?
The IUPAC name of N-[4-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide (CID 2174419) is N-[4-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide is COc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide?
The InChIKey is YLDJJNCLADUVFP-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-15(27)24-17-13-11-16(12-14-17)22-25-19-8-4-3-7-18(19)23(28)26(22)20-9-5-6-10-21(20)29-2/h3-14,22,25H,1-2H3,(H,24,27)/t22-/m0/s1.
What are the key properties of N-[4-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide?
N-[4-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide has a molecular weight of 387.44 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide is sourced from PubChem (CID 2174419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).