2,2-dichloro-N-methyl-N-[(1S)-1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]acetamide

C20H19Cl2N3O2 — CID 7283482

IUPAC2,2-dichloro-N-methyl-N-[(1S)-1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]acetamide
SMILESCc1ccccc1-n1c([C@H](C)N(C)C(=O)C(Cl)Cl)nc2ccccc2c1=O
InChIInChI=1S/C20H19Cl2N3O2/c1-12-8-4-7-11-16(12)25-18(13(2)24(3)20(27)17(21)22)23-15-10-6-5-9-14(15)19(25)26/h4-11,13,17H,1-3H3/t13-/m0/s1
InChIKeyNIWLSTRCMWHJJB-ZDUSSCGKSA-N
MW404.30 g/mol
LogP4.02
Rot. Bonds4

About 2,2-dichloro-N-methyl-N-[(1S)-1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]acetamide

2,2-dichloro-N-methyl-N-[(1S)-1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]acetamide (PubChem CID 7283482) has the molecular formula C20H19Cl2N3O2 and a molecular weight of 404.30 g/mol. Its IUPAC name is 2,2-dichloro-N-methyl-N-[(1S)-1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-methyl-N-[(1S)-1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]acetamide
PubChem CID7283482
Molecular FormulaC20H19Cl2N3O2
Molecular Weight404.30 g/mol
Exact Mass403.09
IUPAC Name2,2-dichloro-N-methyl-N-[(1S)-1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]acetamide
SMILESCc1ccccc1-n1c([C@H](C)N(C)C(=O)C(Cl)Cl)nc2ccccc2c1=O
InChIInChI=1S/C20H19Cl2N3O2/c1-12-8-4-7-11-16(12)25-18(13(2)24(3)20(27)17(21)22)23-15-10-6-5-9-14(15)19(25)26/h4-11,13,17H,1-3H3/t13-/m0/s1
InChIKeyNIWLSTRCMWHJJB-ZDUSSCGKSA-N
XLogP4.02
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.30
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N,3-dimethyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]butanamide
CID 42718190
3-(2-methoxyphenyl)-1-methyl-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42718203
2-chloro-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)acetamide
CID 42718336
2-chloro-N-(3-methylbutyl)-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]acetamide
CID 4559937
1-ethyl-3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42718248
N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzamide
CID 42719659
N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N,2,2-trimethylpropanamide
CID 42720205
4-tert-butyl-N-ethyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42718225
N-butyl-2-methyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42718979
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylcyclopropanecarboxamide
CID 42720157
N-ethyl-2-fluoro-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42718224
1-butyl-3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42718557

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-methyl-N-[(1S)-1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]acetamide?
The IUPAC name of 2,2-dichloro-N-methyl-N-[(1S)-1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]acetamide (CID 7283482) is 2,2-dichloro-N-methyl-N-[(1S)-1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]acetamide.
What is the SMILES notation for 2,2-dichloro-N-methyl-N-[(1S)-1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]acetamide?
The canonical SMILES for 2,2-dichloro-N-methyl-N-[(1S)-1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]acetamide is Cc1ccccc1-n1c([C@H](C)N(C)C(=O)C(Cl)Cl)nc2ccccc2c1=O.
What is the InChIKey of 2,2-dichloro-N-methyl-N-[(1S)-1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]acetamide?
The InChIKey is NIWLSTRCMWHJJB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H19Cl2N3O2/c1-12-8-4-7-11-16(12)25-18(13(2)24(3)20(27)17(21)22)23-15-10-6-5-9-14(15)19(25)26/h4-11,13,17H,1-3H3/t13-/m0/s1.
What are the key properties of 2,2-dichloro-N-methyl-N-[(1S)-1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]acetamide?
2,2-dichloro-N-methyl-N-[(1S)-1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]acetamide has a molecular weight of 404.30 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-methyl-N-[(1S)-1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]acetamide is sourced from PubChem (CID 7283482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).