N-benzyl-2-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]propanamide

C29H31N3O2 — CID 42717250

IUPACN-benzyl-2-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]propanamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccc(C)cc1)N(Cc1ccccc1)C(=O)C(C)C
InChIInChI=1S/C29H31N3O2/c1-5-26(31(28(33)20(2)3)19-22-11-7-6-8-12-22)27-30-25-14-10-9-13-24(25)29(34)32(27)23-17-15-21(4)16-18-23/h6-18,20,26H,5,19H2,1-4H3
InChIKeyJIBRRVLZBDEQMN-UHFFFAOYSA-N
MW453.59 g/mol
LogP5.83
Rot. Bonds7

About N-benzyl-2-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]propanamide

N-benzyl-2-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]propanamide (PubChem CID 42717250) has the molecular formula C29H31N3O2 and a molecular weight of 453.59 g/mol. Its IUPAC name is N-benzyl-2-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]propanamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]propanamide
PubChem CID42717250
Molecular FormulaC29H31N3O2
Molecular Weight453.59 g/mol
Exact Mass453.24
IUPAC NameN-benzyl-2-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]propanamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccc(C)cc1)N(Cc1ccccc1)C(=O)C(C)C
InChIInChI=1S/C29H31N3O2/c1-5-26(31(28(33)20(2)3)19-22-11-7-6-8-12-22)27-30-25-14-10-9-13-24(25)29(34)32(27)23-17-15-21(4)16-18-23/h6-18,20,26H,5,19H2,1-4H3
InChIKeyJIBRRVLZBDEQMN-UHFFFAOYSA-N
XLogP5.83
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.59
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]thiophene-2-carboxamide
CID 42717251
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methyl-N-(2-phenylethyl)propanamide
CID 3951854
N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide
CID 42722923
N-benzyl-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylbutanamide
CID 42719284
N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)benzamide
CID 42717218
2-methyl-N-(3-methylbutyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide
CID 42718091
N-benzyl-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylmethoxyacetamide
CID 3247947
N-ethyl-2-fluoro-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42717191
N-(2-methoxyethyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42717584
N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 3920095
N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)thiophene-2-carboxamide
CID 42717222
N-(3-methylbutyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]hexanamide
CID 42717885

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]propanamide?
The IUPAC name of N-benzyl-2-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]propanamide (CID 42717250) is N-benzyl-2-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]propanamide.
What is the SMILES notation for N-benzyl-2-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]propanamide?
The canonical SMILES for N-benzyl-2-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]propanamide is CCC(c1nc2ccccc2c(=O)n1-c1ccc(C)cc1)N(Cc1ccccc1)C(=O)C(C)C.
What is the InChIKey of N-benzyl-2-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]propanamide?
The InChIKey is JIBRRVLZBDEQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O2/c1-5-26(31(28(33)20(2)3)19-22-11-7-6-8-12-22)27-30-25-14-10-9-13-24(25)29(34)32(27)23-17-15-21(4)16-18-23/h6-18,20,26H,5,19H2,1-4H3.
What are the key properties of N-benzyl-2-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]propanamide?
N-benzyl-2-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]propanamide has a molecular weight of 453.59 g/mol, XLogP of 5.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]propanamide is sourced from PubChem (CID 42717250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).