3-chloro-N-ethyl-2,2-dimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide

C24H28ClN3O2 — CID 42657541

IUPAC3-chloro-N-ethyl-2,2-dimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide
SMILESCCN(C(=O)C(C)(C)CCl)C(C)c1nc2ccccc2c(=O)n1-c1cccc(C)c1
InChIInChI=1S/C24H28ClN3O2/c1-6-27(23(30)24(4,5)15-25)17(3)21-26-20-13-8-7-12-19(20)22(29)28(21)18-11-9-10-16(2)14-18/h7-14,17H,6,15H2,1-5H3
InChIKeyWEBYGVKFDRRBMM-UHFFFAOYSA-N
MW425.96 g/mol
LogP4.87
Rot. Bonds6

About 3-chloro-N-ethyl-2,2-dimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide

3-chloro-N-ethyl-2,2-dimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide (PubChem CID 42657541) has the molecular formula C24H28ClN3O2 and a molecular weight of 425.96 g/mol. Its IUPAC name is 3-chloro-N-ethyl-2,2-dimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-2,2-dimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide
PubChem CID42657541
Molecular FormulaC24H28ClN3O2
Molecular Weight425.96 g/mol
Exact Mass425.19
IUPAC Name3-chloro-N-ethyl-2,2-dimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide
SMILESCCN(C(=O)C(C)(C)CCl)C(C)c1nc2ccccc2c(=O)n1-c1cccc(C)c1
InChIInChI=1S/C24H28ClN3O2/c1-6-27(23(30)24(4,5)15-25)17(3)21-26-20-13-8-7-12-19(20)22(29)28(21)18-11-9-10-16(2)14-18/h7-14,17H,6,15H2,1-5H3
InChIKeyWEBYGVKFDRRBMM-UHFFFAOYSA-N
XLogP4.87
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.96
LogP ≤ 54.87
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

2,2-dichloro-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)acetamide
CID 42718464
2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)propanamide
CID 42718469
N-hexyl-3,3-dimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]butanamide
CID 42719055
1-ethyl-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 4288509
N-benzyl-2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42719081
N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)butanamide
CID 42719085
N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylhexanamide
CID 3883776
N-butyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]hexanamide
CID 3293377
2-chloro-N-ethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 4029276
3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methylpropyl)urea
CID 42718299
N-ethyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]propanamide
CID 42715387
4-methyl-N-(3-methylbutyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42719036

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-2,2-dimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide?
The IUPAC name of 3-chloro-N-ethyl-2,2-dimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide (CID 42657541) is 3-chloro-N-ethyl-2,2-dimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide.
What is the SMILES notation for 3-chloro-N-ethyl-2,2-dimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide?
The canonical SMILES for 3-chloro-N-ethyl-2,2-dimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide is CCN(C(=O)C(C)(C)CCl)C(C)c1nc2ccccc2c(=O)n1-c1cccc(C)c1.
What is the InChIKey of 3-chloro-N-ethyl-2,2-dimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide?
The InChIKey is WEBYGVKFDRRBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O2/c1-6-27(23(30)24(4,5)15-25)17(3)21-26-20-13-8-7-12-19(20)22(29)28(21)18-11-9-10-16(2)14-18/h7-14,17H,6,15H2,1-5H3.
What are the key properties of 3-chloro-N-ethyl-2,2-dimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide?
3-chloro-N-ethyl-2,2-dimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide has a molecular weight of 425.96 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-2,2-dimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide is sourced from PubChem (CID 42657541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).