N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methyl-N-propylbenzamide

C29H31N3O3 — CID 42723052

IUPACN-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methyl-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(C)cc1)C(CC)c1nc2ccccc2c(=O)n1-c1ccccc1OC
InChIInChI=1S/C29H31N3O3/c1-5-19-31(28(33)21-17-15-20(3)16-18-21)24(6-2)27-30-23-12-8-7-11-22(23)29(34)32(27)25-13-9-10-14-26(25)35-4/h7-18,24H,5-6,19H2,1-4H3
InChIKeyJIOZRXPKUZBAMI-UHFFFAOYSA-N
MW469.59 g/mol
LogP5.71
Rot. Bonds8

About N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methyl-N-propylbenzamide

N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methyl-N-propylbenzamide (PubChem CID 42723052) has the molecular formula C29H31N3O3 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methyl-N-propylbenzamide.

Molecular Properties

Compound NameN-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methyl-N-propylbenzamide
PubChem CID42723052
Molecular FormulaC29H31N3O3
Molecular Weight469.59 g/mol
Exact Mass469.24
IUPAC NameN-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methyl-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(C)cc1)C(CC)c1nc2ccccc2c(=O)n1-c1ccccc1OC
InChIInChI=1S/C29H31N3O3/c1-5-19-31(28(33)21-17-15-20(3)16-18-21)24(6-2)27-30-23-12-8-7-11-22(23)29(34)32(27)25-13-9-10-14-26(25)35-4/h7-18,24H,5-6,19H2,1-4H3
InChIKeyJIOZRXPKUZBAMI-UHFFFAOYSA-N
XLogP5.71
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.59
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dichloro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
CID 42723057
N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methyl-N-propylbenzamide
CID 42723055
4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylbenzamide
CID 42723520
N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propyl-1,3-benzodioxole-5-carboxamide
CID 42723060
N-ethyl-4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42723018
N,4-diethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42723044
1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-3-(4-methylphenyl)-1-pentylurea
CID 42723161
N-(2-methoxyethyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42717584
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylnaphthalene-2-carboxamide
CID 3935983
N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methyl-4-pentylbenzamide
CID 42722999
2-chloro-N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42723020
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
CID 42718827

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methyl-N-propylbenzamide?
The IUPAC name of N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methyl-N-propylbenzamide (CID 42723052) is N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methyl-N-propylbenzamide.
What is the SMILES notation for N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methyl-N-propylbenzamide?
The canonical SMILES for N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methyl-N-propylbenzamide is CCCN(C(=O)c1ccc(C)cc1)C(CC)c1nc2ccccc2c(=O)n1-c1ccccc1OC.
What is the InChIKey of N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methyl-N-propylbenzamide?
The InChIKey is JIOZRXPKUZBAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O3/c1-5-19-31(28(33)21-17-15-20(3)16-18-21)24(6-2)27-30-23-12-8-7-11-22(23)29(34)32(27)25-13-9-10-14-26(25)35-4/h7-18,24H,5-6,19H2,1-4H3.
What are the key properties of N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methyl-N-propylbenzamide?
N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methyl-N-propylbenzamide has a molecular weight of 469.59 g/mol, XLogP of 5.71, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-4-methyl-N-propylbenzamide is sourced from PubChem (CID 42723052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).