N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)-3-phenylpropanamide

C30H33N3O2 — CID 42718068

IUPACN-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)-3-phenylpropanamide
SMILESCc1ccc(-n2c(C(C)N(CC(C)C)C(=O)CCc3ccccc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C30H33N3O2/c1-21(2)20-32(28(34)19-16-24-10-6-5-7-11-24)23(4)29-31-27-13-9-8-12-26(27)30(35)33(29)25-17-14-22(3)15-18-25/h5-15,17-18,21,23H,16,19-20H2,1-4H3
InChIKeyQXDIJCYYQZRAMA-UHFFFAOYSA-N
MW467.61 g/mol
LogP5.87
Rot. Bonds8

About N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)-3-phenylpropanamide

N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)-3-phenylpropanamide (PubChem CID 42718068) has the molecular formula C30H33N3O2 and a molecular weight of 467.61 g/mol. Its IUPAC name is N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)-3-phenylpropanamide
PubChem CID42718068
Molecular FormulaC30H33N3O2
Molecular Weight467.61 g/mol
Exact Mass467.26
IUPAC NameN-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)-3-phenylpropanamide
SMILESCc1ccc(-n2c(C(C)N(CC(C)C)C(=O)CCc3ccccc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C30H33N3O2/c1-21(2)20-32(28(34)19-16-24-10-6-5-7-11-24)23(4)29-31-27-13-9-8-12-26(27)30(35)33(29)25-17-14-22(3)15-18-25/h5-15,17-18,21,23H,16,19-20H2,1-4H3
InChIKeyQXDIJCYYQZRAMA-UHFFFAOYSA-N
XLogP5.87
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.61
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]nonanamide
CID 5030431
2-methyl-N-(3-methylbutyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide
CID 42718091
N-hexyl-N-[(1R)-1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]dodecanamide
CID 98429512
N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)benzamide
CID 42717218
N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)butanamide
CID 42719085
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methylpropyl)-3-phenylpropanamide
CID 42712013
N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)hexanamide
CID 42720645
N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)butanamide
CID 42723641
N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-3-phenyl-N-propylpropanamide
CID 42717344
N-[(1R)-1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-methyl-N-(2-methylpropyl)butanamide
CID 7236971
N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-pentyl-N-propylbenzamide
CID 42718039
ethyl 4-[hexyl-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]amino]-4-oxobutanoate
CID 4007499

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)-3-phenylpropanamide?
The IUPAC name of N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)-3-phenylpropanamide (CID 42718068) is N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)-3-phenylpropanamide.
What is the SMILES notation for N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)-3-phenylpropanamide?
The canonical SMILES for N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)-3-phenylpropanamide is Cc1ccc(-n2c(C(C)N(CC(C)C)C(=O)CCc3ccccc3)nc3ccccc3c2=O)cc1.
What is the InChIKey of N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)-3-phenylpropanamide?
The InChIKey is QXDIJCYYQZRAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O2/c1-21(2)20-32(28(34)19-16-24-10-6-5-7-11-24)23(4)29-31-27-13-9-8-12-26(27)30(35)33(29)25-17-14-22(3)15-18-25/h5-15,17-18,21,23H,16,19-20H2,1-4H3.
What are the key properties of N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)-3-phenylpropanamide?
N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)-3-phenylpropanamide has a molecular weight of 467.61 g/mol, XLogP of 5.87, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)-3-phenylpropanamide is sourced from PubChem (CID 42718068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).