N-(3-chlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide

C26H23ClN4O4 — CID 22430065

IUPACN-(3-chlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide
SMILESO=C(Cn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(Cl)c2)c1=O)NCCc1ccccc1
InChIInChI=1S/C26H23ClN4O4/c27-19-9-6-10-20(15-19)29-24(33)17-30-22-12-5-4-11-21(22)25(34)31(26(30)35)16-23(32)28-14-13-18-7-2-1-3-8-18/h1-12,15H,13-14,16-17H2,(H,28,32)(H,29,33)
InChIKeyRAYCMPHOFCKYPR-UHFFFAOYSA-N
MW490.95 g/mol
LogP2.81
Rot. Bonds8

About N-(3-chlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide

N-(3-chlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide (PubChem CID 22430065) has the molecular formula C26H23ClN4O4 and a molecular weight of 490.95 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide
PubChem CID22430065
Molecular FormulaC26H23ClN4O4
Molecular Weight490.95 g/mol
Exact Mass490.14
IUPAC NameN-(3-chlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide
SMILESO=C(Cn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(Cl)c2)c1=O)NCCc1ccccc1
InChIInChI=1S/C26H23ClN4O4/c27-19-9-6-10-20(15-19)29-24(33)17-30-22-12-5-4-11-21(22)25(34)31(26(30)35)16-23(32)28-14-13-18-7-2-1-3-8-18/h1-12,15H,13-14,16-17H2,(H,28,32)(H,29,33)
InChIKeyRAYCMPHOFCKYPR-UHFFFAOYSA-N
XLogP2.81
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.95
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide
CID 46247876
ethyl 4-[[2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetyl]amino]benzoate
CID 22430059
N-(3-acetylphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide
CID 6502365
N-(3-chlorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide
CID 53365733
N-(3-chlorophenyl)-2-(9-oxoacridin-10-yl)acetamide
CID 15991917
3-[1-[2-(4-methylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(2-phenylethyl)propanamide
CID 15989633
N-[2-(3-chlorophenyl)ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 18114716
5-[1-[2-(3-chloroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(2-chlorophenyl)methyl]pentanamide
CID 46247690
2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(3-phenylpropyl)acetamide
CID 51046638
N-(3-chlorophenyl)-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 46857114
2-[4-[1-[2-(3-chloroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
CID 27422032
2-[3-[2-(4-chlorophenyl)ethyl]-2,4-dioxoquinazolin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 22423536

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide (CID 22430065) is N-(3-chlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide is O=C(Cn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(Cl)c2)c1=O)NCCc1ccccc1.
What is the InChIKey of N-(3-chlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide?
The InChIKey is RAYCMPHOFCKYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O4/c27-19-9-6-10-20(15-19)29-24(33)17-30-22-12-5-4-11-21(22)25(34)31(26(30)35)16-23(32)28-14-13-18-7-2-1-3-8-18/h1-12,15H,13-14,16-17H2,(H,28,32)(H,29,33).
What are the key properties of N-(3-chlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide?
N-(3-chlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide has a molecular weight of 490.95 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide is sourced from PubChem (CID 22430065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).