N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5,5-trimethyl-N-propylhexanamide

C30H41N3O2 — CID 42720523

IUPACN-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5,5-trimethyl-N-propylhexanamide
SMILESCCCN(C(=O)CC(C)CC(C)(C)C)C(C)c1nc2ccccc2c(=O)n1-c1ccc(C)cc1C
InChIInChI=1S/C30H41N3O2/c1-9-16-32(27(34)18-21(3)19-30(6,7)8)23(5)28-31-25-13-11-10-12-24(25)29(35)33(28)26-15-14-20(2)17-22(26)4/h10-15,17,21,23H,9,16,18-19H2,1-8H3
InChIKeyPABWCYDPCYVZKN-UHFFFAOYSA-N
MW475.68 g/mol
LogP6.76
Rot. Bonds8

About N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5,5-trimethyl-N-propylhexanamide

N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5,5-trimethyl-N-propylhexanamide (PubChem CID 42720523) has the molecular formula C30H41N3O2 and a molecular weight of 475.68 g/mol. Its IUPAC name is N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5,5-trimethyl-N-propylhexanamide.

Molecular Properties

Compound NameN-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5,5-trimethyl-N-propylhexanamide
PubChem CID42720523
Molecular FormulaC30H41N3O2
Molecular Weight475.68 g/mol
Exact Mass475.32
IUPAC NameN-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5,5-trimethyl-N-propylhexanamide
SMILESCCCN(C(=O)CC(C)CC(C)(C)C)C(C)c1nc2ccccc2c(=O)n1-c1ccc(C)cc1C
InChIInChI=1S/C30H41N3O2/c1-9-16-32(27(34)18-21(3)19-30(6,7)8)23(5)28-31-25-13-11-10-12-24(25)29(35)33(28)26-15-14-20(2)17-22(26)4/h10-15,17,21,23H,9,16,18-19H2,1-8H3
InChIKeyPABWCYDPCYVZKN-UHFFFAOYSA-N
XLogP6.76
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.68
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3,3-dimethyl-N-propylbutanamide
CID 42720522
ethyl 4-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl-propylamino]-4-oxobutanoate
CID 42720528
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylbutanamide
CID 42719955
N-[(1R)-1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-methyl-N-(2-methylpropyl)butanamide
CID 7236971
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-fluoro-N-propylbenzamide
CID 42720516
N-(2-methoxyethyl)-3,5,5-trimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]hexanamide
CID 42718407
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethyl-2-methylpropanamide
CID 42719958
N-benzyl-N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide
CID 42720540
N-butyl-N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]butanamide
CID 42720622
3-cyclopentyl-N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylpropanamide
CID 42720601
N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylpentanamide
CID 42717446
3-(3-chlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-propylurea
CID 42720531

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5,5-trimethyl-N-propylhexanamide?
The IUPAC name of N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5,5-trimethyl-N-propylhexanamide (CID 42720523) is N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5,5-trimethyl-N-propylhexanamide.
What is the SMILES notation for N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5,5-trimethyl-N-propylhexanamide?
The canonical SMILES for N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5,5-trimethyl-N-propylhexanamide is CCCN(C(=O)CC(C)CC(C)(C)C)C(C)c1nc2ccccc2c(=O)n1-c1ccc(C)cc1C.
What is the InChIKey of N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5,5-trimethyl-N-propylhexanamide?
The InChIKey is PABWCYDPCYVZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N3O2/c1-9-16-32(27(34)18-21(3)19-30(6,7)8)23(5)28-31-25-13-11-10-12-24(25)29(35)33(28)26-15-14-20(2)17-22(26)4/h10-15,17,21,23H,9,16,18-19H2,1-8H3.
What are the key properties of N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5,5-trimethyl-N-propylhexanamide?
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5,5-trimethyl-N-propylhexanamide has a molecular weight of 475.68 g/mol, XLogP of 6.76, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5,5-trimethyl-N-propylhexanamide is sourced from PubChem (CID 42720523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).