4-tert-butyl-N-ethyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide

C30H33N3O2 — CID 42718225

IUPAC4-tert-butyl-N-ethyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
SMILESCCN(C(=O)c1ccc(C(C)(C)C)cc1)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1C
InChIInChI=1S/C30H33N3O2/c1-7-32(28(34)22-16-18-23(19-17-22)30(4,5)6)21(3)27-31-25-14-10-9-13-24(25)29(35)33(27)26-15-11-8-12-20(26)2/h8-19,21H,7H2,1-6H3
InChIKeyVYURYZZUASOXBS-UHFFFAOYSA-N
MW467.61 g/mol
LogP6.21
Rot. Bonds5

About 4-tert-butyl-N-ethyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide

4-tert-butyl-N-ethyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide (PubChem CID 42718225) has the molecular formula C30H33N3O2 and a molecular weight of 467.61 g/mol. Its IUPAC name is 4-tert-butyl-N-ethyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-ethyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
PubChem CID42718225
Molecular FormulaC30H33N3O2
Molecular Weight467.61 g/mol
Exact Mass467.26
IUPAC Name4-tert-butyl-N-ethyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
SMILESCCN(C(=O)c1ccc(C(C)(C)C)cc1)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1C
InChIInChI=1S/C30H33N3O2/c1-7-32(28(34)22-16-18-23(19-17-22)30(4,5)6)21(3)27-31-25-14-10-9-13-24(25)29(35)33(27)26-15-11-8-12-20(26)2/h8-19,21H,7H2,1-6H3
InChIKeyVYURYZZUASOXBS-UHFFFAOYSA-N
XLogP6.21
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.61
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylbenzamide
CID 42720563
N-ethyl-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-methylbenzamide
CID 42722015
N-ethyl-2-fluoro-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42718224
N-ethyl-3-methoxy-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42718230
1-ethyl-3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42718248
N-butyl-2-methyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42718979
N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide
CID 42718352
N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42723568
N-ethyl-3-fluoro-N-[1-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42722955
N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-2-carboxamide
CID 42720907
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylbutanamide
CID 42719955
2,2-dichloro-N-methyl-N-[(1S)-1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]acetamide
CID 7283482

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-ethyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-ethyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide (CID 42718225) is 4-tert-butyl-N-ethyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-ethyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-ethyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide is CCN(C(=O)c1ccc(C(C)(C)C)cc1)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1C.
What is the InChIKey of 4-tert-butyl-N-ethyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?
The InChIKey is VYURYZZUASOXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O2/c1-7-32(28(34)22-16-18-23(19-17-22)30(4,5)6)21(3)27-31-25-14-10-9-13-24(25)29(35)33(27)26-15-11-8-12-20(26)2/h8-19,21H,7H2,1-6H3.
What are the key properties of 4-tert-butyl-N-ethyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?
4-tert-butyl-N-ethyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide has a molecular weight of 467.61 g/mol, XLogP of 6.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-ethyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide is sourced from PubChem (CID 42718225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).