N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)benzamide

C29H31N3O2 — CID 42717218

IUPACN-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)benzamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccc(C)cc1)N(CC(C)C)C(=O)c1ccccc1
InChIInChI=1S/C29H31N3O2/c1-5-26(31(19-20(2)3)28(33)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
InChIKeyPQUUCWBBPGCPHO-UHFFFAOYSA-N
MW453.59 g/mol
LogP5.94
Rot. Bonds7

About N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)benzamide

N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)benzamide (PubChem CID 42717218) has the molecular formula C29H31N3O2 and a molecular weight of 453.59 g/mol. Its IUPAC name is N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)benzamide
PubChem CID42717218
Molecular FormulaC29H31N3O2
Molecular Weight453.59 g/mol
Exact Mass453.24
IUPAC NameN-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)benzamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccc(C)cc1)N(CC(C)C)C(=O)c1ccccc1
InChIInChI=1S/C29H31N3O2/c1-5-26(31(19-20(2)3)28(33)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
InChIKeyPQUUCWBBPGCPHO-UHFFFAOYSA-N
XLogP5.94
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 ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-(2-methoxyethyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42717584
N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbenzamide
CID 42718076
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
CID 42718827
N-benzyl-2-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]propanamide
CID 42717250
N-(3-methylbutyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]hexanamide
CID 42717885
3-fluoro-N-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42717578
N-ethyl-2-fluoro-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42717191
N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)cyclopropanecarboxamide
CID 42715682
3-(4-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-methylpropyl)urea
CID 4690566
1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-tert-butyl-1-(2-methylpropyl)urea
CID 42719856

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)benzamide (CID 42717218) is N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)benzamide is CCC(c1nc2ccccc2c(=O)n1-c1ccc(C)cc1)N(CC(C)C)C(=O)c1ccccc1.
What is the InChIKey of N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)benzamide?
The InChIKey is PQUUCWBBPGCPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O2/c1-5-26(31(19-20(2)3)28(33)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-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)benzamide?
N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)benzamide has a molecular weight of 453.59 g/mol, XLogP of 5.94, 7 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]propyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 42717218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).