4-methyl-N-(3-methylbutyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide

C30H33N3O2 — CID 42719036

IUPAC4-methyl-N-(3-methylbutyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
SMILESCc1ccc(C(=O)N(CCC(C)C)C(C)c2nc3ccccc3c(=O)n2-c2cccc(C)c2)cc1
InChIInChI=1S/C30H33N3O2/c1-20(2)17-18-32(29(34)24-15-13-21(3)14-16-24)23(5)28-31-27-12-7-6-11-26(27)30(35)33(28)25-10-8-9-22(4)19-25/h6-16,19-20,23H,17-18H2,1-5H3
InChIKeyJSSHPUBQKCWCST-UHFFFAOYSA-N
MW467.61 g/mol
LogP6.25
Rot. Bonds7

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

4-methyl-N-(3-methylbutyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide (PubChem CID 42719036) has the molecular formula C30H33N3O2 and a molecular weight of 467.61 g/mol. Its IUPAC name is 4-methyl-N-(3-methylbutyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-(3-methylbutyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
PubChem CID42719036
Molecular FormulaC30H33N3O2
Molecular Weight467.61 g/mol
Exact Mass467.26
IUPAC Name4-methyl-N-(3-methylbutyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
SMILESCc1ccc(C(=O)N(CCC(C)C)C(C)c2nc3ccccc3c(=O)n2-c2cccc(C)c2)cc1
InChIInChI=1S/C30H33N3O2/c1-20(2)17-18-32(29(34)24-15-13-21(3)14-16-24)23(5)28-31-27-12-7-6-11-26(27)30(35)33(28)25-10-8-9-22(4)19-25/h6-16,19-20,23H,17-18H2,1-5H3
InChIKeyJSSHPUBQKCWCST-UHFFFAOYSA-N
XLogP6.25
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.61
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)propanamide
CID 42718469
2-methyl-N-(3-methylbutyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide
CID 42718091
3,4,5-trimethoxy-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)benzamide
CID 42718474
N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propyl-1,3-benzodioxole-5-carboxamide
CID 42718436
2,2-dichloro-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)acetamide
CID 42718464
N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-fluoro-N-(3-methylbutyl)benzamide
CID 3380806
4-chloro-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)benzamide
CID 42723660
N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbenzamide
CID 42718076
N-benzyl-2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42719081
3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methylpropyl)urea
CID 42718299
2-fluoro-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbenzamide
CID 42719027
N-butyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]hexanamide
CID 3293377

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methylbutyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?
The IUPAC name of 4-methyl-N-(3-methylbutyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide (CID 42719036) is 4-methyl-N-(3-methylbutyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-(3-methylbutyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?
The canonical SMILES for 4-methyl-N-(3-methylbutyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide is Cc1ccc(C(=O)N(CCC(C)C)C(C)c2nc3ccccc3c(=O)n2-c2cccc(C)c2)cc1.
What is the InChIKey of 4-methyl-N-(3-methylbutyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?
The InChIKey is JSSHPUBQKCWCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O2/c1-20(2)17-18-32(29(34)24-15-13-21(3)14-16-24)23(5)28-31-27-12-7-6-11-26(27)30(35)33(28)25-10-8-9-22(4)19-25/h6-16,19-20,23H,17-18H2,1-5H3.
What are the key properties of 4-methyl-N-(3-methylbutyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?
4-methyl-N-(3-methylbutyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide has a molecular weight of 467.61 g/mol, XLogP of 6.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylbutyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide is sourced from PubChem (CID 42719036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).