2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1S)-1,2-diphenylethyl]acetamide

C24H20ClN3O2 — CID 8607690

IUPAC2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1S)-1,2-diphenylethyl]acetamide
SMILESO=C(Cn1cnc2ccc(Cl)cc2c1=O)N[C@@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H20ClN3O2/c25-19-11-12-21-20(14-19)24(30)28(16-26-21)15-23(29)27-22(18-9-5-2-6-10-18)13-17-7-3-1-4-8-17/h1-12,14,16,22H,13,15H2,(H,27,29)/t22-/m0/s1
InChIKeyFNZIPEGSODZICR-QFIPXVFZSA-N
MW417.90 g/mol
LogP4.15
Rot. Bonds6

About 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1S)-1,2-diphenylethyl]acetamide

2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1S)-1,2-diphenylethyl]acetamide (PubChem CID 8607690) has the molecular formula C24H20ClN3O2 and a molecular weight of 417.90 g/mol. Its IUPAC name is 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1S)-1,2-diphenylethyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1S)-1,2-diphenylethyl]acetamide
PubChem CID8607690
Molecular FormulaC24H20ClN3O2
Molecular Weight417.90 g/mol
Exact Mass417.12
IUPAC Name2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1S)-1,2-diphenylethyl]acetamide
SMILESO=C(Cn1cnc2ccc(Cl)cc2c1=O)N[C@@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H20ClN3O2/c25-19-11-12-21-20(14-19)24(30)28(16-26-21)15-23(29)27-22(18-9-5-2-6-10-18)13-17-7-3-1-4-8-17/h1-12,14,16,22H,13,15H2,(H,27,29)/t22-/m0/s1
InChIKeyFNZIPEGSODZICR-QFIPXVFZSA-N
XLogP4.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.90
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 8607668
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8565341
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 7587615
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide
CID 7488456
N-(2-benzylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 7488437
N-(1,2-diphenylethyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 24682393
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]acetamide
CID 8565376
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]acetamide
CID 8565378
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(1-cyclopropylethyl)acetamide
CID 51216214
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 7488402
2-(4-oxoquinazolin-3-yl)-N-[(2S)-1-phenylpropan-2-yl]acetamide
CID 844929
dimethyl-[(2S)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylethyl]azanium
CID 8936990

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1S)-1,2-diphenylethyl]acetamide?
The IUPAC name of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1S)-1,2-diphenylethyl]acetamide (CID 8607690) is 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1S)-1,2-diphenylethyl]acetamide.
What is the SMILES notation for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1S)-1,2-diphenylethyl]acetamide?
The canonical SMILES for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1S)-1,2-diphenylethyl]acetamide is O=C(Cn1cnc2ccc(Cl)cc2c1=O)N[C@@H](Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1S)-1,2-diphenylethyl]acetamide?
The InChIKey is FNZIPEGSODZICR-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H20ClN3O2/c25-19-11-12-21-20(14-19)24(30)28(16-26-21)15-23(29)27-22(18-9-5-2-6-10-18)13-17-7-3-1-4-8-17/h1-12,14,16,22H,13,15H2,(H,27,29)/t22-/m0/s1.
What are the key properties of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1S)-1,2-diphenylethyl]acetamide?
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1S)-1,2-diphenylethyl]acetamide has a molecular weight of 417.90 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1S)-1,2-diphenylethyl]acetamide is sourced from PubChem (CID 8607690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).