2-[3-(3-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-[(1R)-1-phenylethyl]acetamide

C24H20ClN3O3 — CID 93301719

IUPAC2-[3-(3-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2ccccc21)c1ccccc1
InChIInChI=1S/C24H20ClN3O3/c1-16(17-8-3-2-4-9-17)26-22(29)15-27-21-13-6-5-12-20(21)23(30)28(24(27)31)19-11-7-10-18(25)14-19/h2-14,16H,15H2,1H3,(H,26,29)/t16-/m1/s1
InChIKeyRBVWEJSDJLFCLC-MRXNPFEDSA-N
MW433.90 g/mol
LogP3.68
Rot. Bonds5

About 2-[3-(3-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-[(1R)-1-phenylethyl]acetamide

2-[3-(3-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 93301719) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is 2-[3-(3-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[3-(3-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
PubChem CID93301719
Molecular FormulaC24H20ClN3O3
Molecular Weight433.90 g/mol
Exact Mass433.12
IUPAC Name2-[3-(3-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2ccccc21)c1ccccc1
InChIInChI=1S/C24H20ClN3O3/c1-16(17-8-3-2-4-9-17)26-22(29)15-27-21-13-6-5-12-20(21)23(30)28(24(27)31)19-11-7-10-18(25)14-19/h2-14,16H,15H2,1H3,(H,26,29)/t16-/m1/s1
InChIKeyRBVWEJSDJLFCLC-MRXNPFEDSA-N
XLogP3.68
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 46857114
2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-propan-2-ylacetamide
CID 50763110
3-(3-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione
CID 17147929
2-[4-[1-[2-(3-chloroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
CID 27422032
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 40711261
3-(3-chlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
CID 17147921
2-[7-chloro-3-(3-nitrophenyl)-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide
CID 71959572
2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide
CID 42810869
2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-methylacetamide
CID 50763230
N-butan-2-yl-2-[3-[(3-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 46925312
3-(3-chlorophenyl)-1-[(2-chlorophenyl)methyl]quinazoline-2,4-dione
CID 17147919
2-[3-(3,4-dichlorophenyl)-2,4-dioxoquinazolin-1-yl]acetic acid
CID 14458947

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-[3-(3-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-[(1R)-1-phenylethyl]acetamide (CID 93301719) is 2-[3-(3-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[3-(3-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[3-(3-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-[(1R)-1-phenylethyl]acetamide is C[C@@H](NC(=O)Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2ccccc21)c1ccccc1.
What is the InChIKey of 2-[3-(3-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is RBVWEJSDJLFCLC-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c1-16(17-8-3-2-4-9-17)26-22(29)15-27-21-13-6-5-12-20(21)23(30)28(24(27)31)19-11-7-10-18(25)14-19/h2-14,16H,15H2,1H3,(H,26,29)/t16-/m1/s1.
What are the key properties of 2-[3-(3-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-[(1R)-1-phenylethyl]acetamide?
2-[3-(3-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 433.90 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 93301719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).