N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-pentyl-N-propylbenzamide

C32H37N3O2 — CID 42718039

IUPACN-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-pentyl-N-propylbenzamide
SMILESCCCCCc1ccc(C(=O)N(CCC)C(C)c2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1
InChIInChI=1S/C32H37N3O2/c1-5-7-8-11-25-16-18-26(19-17-25)31(36)34(22-6-2)24(4)30-33-29-13-10-9-12-28(29)32(37)35(30)27-20-14-23(3)15-21-27/h9-10,12-21,24H,5-8,11,22H2,1-4H3
InChIKeySSJIGNYVZBLFML-UHFFFAOYSA-N
MW495.67 g/mol
LogP7.04
Rot. Bonds10

About N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-pentyl-N-propylbenzamide

N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-pentyl-N-propylbenzamide (PubChem CID 42718039) has the molecular formula C32H37N3O2 and a molecular weight of 495.67 g/mol. Its IUPAC name is N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-pentyl-N-propylbenzamide.

Molecular Properties

Compound NameN-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-pentyl-N-propylbenzamide
PubChem CID42718039
Molecular FormulaC32H37N3O2
Molecular Weight495.67 g/mol
Exact Mass495.29
IUPAC NameN-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-pentyl-N-propylbenzamide
SMILESCCCCCc1ccc(C(=O)N(CCC)C(C)c2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1
InChIInChI=1S/C32H37N3O2/c1-5-7-8-11-25-16-18-26(19-17-25)31(36)34(22-6-2)24(4)30-33-29-13-10-9-12-28(29)32(37)35(30)27-20-14-23(3)15-21-27/h9-10,12-21,24H,5-8,11,22H2,1-4H3
InChIKeySSJIGNYVZBLFML-UHFFFAOYSA-N
XLogP7.04
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.67
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-butyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide
CID 3431671
N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbenzamide
CID 42718076
4-butyl-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)benzamide
CID 42657450
4-butyl-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)benzamide
CID 4312468
4-butyl-N-[2-(dimethylamino)ethyl]-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42719503
4-butyl-N-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylbenzamide
CID 7412483
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-4-methyl-N-propylbenzamide
CID 42711673
4-chloro-N-hexyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide
CID 42715740
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-butylbenzamide
CID 42715950
N-hexyl-N-[(1R)-1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]dodecanamide
CID 98429512
N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)-4-pentylbenzamide
CID 42657616
4-butyl-N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methoxypropyl)benzamide
CID 4018522

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-pentyl-N-propylbenzamide?
The IUPAC name of N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-pentyl-N-propylbenzamide (CID 42718039) is N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-pentyl-N-propylbenzamide.
What is the SMILES notation for N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-pentyl-N-propylbenzamide?
The canonical SMILES for N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-pentyl-N-propylbenzamide is CCCCCc1ccc(C(=O)N(CCC)C(C)c2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1.
What is the InChIKey of N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-pentyl-N-propylbenzamide?
The InChIKey is SSJIGNYVZBLFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O2/c1-5-7-8-11-25-16-18-26(19-17-25)31(36)34(22-6-2)24(4)30-33-29-13-10-9-12-28(29)32(37)35(30)27-20-14-23(3)15-21-27/h9-10,12-21,24H,5-8,11,22H2,1-4H3.
What are the key properties of N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-pentyl-N-propylbenzamide?
N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-pentyl-N-propylbenzamide has a molecular weight of 495.67 g/mol, XLogP of 7.04, 10 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]-4-pentyl-N-propylbenzamide is sourced from PubChem (CID 42718039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).