4-butyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide

C32H37N3O2 — CID 3431671

IUPAC4-butyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide
SMILESCCCCc1ccc(C(=O)N(CCC)C(C)c2nc3ccccc3c(=O)n2-c2ccc(CC)cc2)cc1
InChIInChI=1S/C32H37N3O2/c1-5-8-11-25-14-18-26(19-15-25)31(36)34(22-6-2)23(4)30-33-29-13-10-9-12-28(29)32(37)35(30)27-20-16-24(7-3)17-21-27/h9-10,12-21,23H,5-8,11,22H2,1-4H3
InChIKeyYJFHTWVSUGVZRF-UHFFFAOYSA-N
MW495.67 g/mol
LogP6.90
Rot. Bonds10

About 4-butyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide

4-butyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide (PubChem CID 3431671) has the molecular formula C32H37N3O2 and a molecular weight of 495.67 g/mol. Its IUPAC name is 4-butyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide.

Molecular Properties

Compound Name4-butyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide
PubChem CID3431671
Molecular FormulaC32H37N3O2
Molecular Weight495.67 g/mol
Exact Mass495.29
IUPAC Name4-butyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide
SMILESCCCCc1ccc(C(=O)N(CCC)C(C)c2nc3ccccc3c(=O)n2-c2ccc(CC)cc2)cc1
InChIInChI=1S/C32H37N3O2/c1-5-8-11-25-14-18-26(19-15-25)31(36)34(22-6-2)23(4)30-33-29-13-10-9-12-28(29)32(37)35(30)27-20-16-24(7-3)17-21-27/h9-10,12-21,23H,5-8,11,22H2,1-4H3
InChIKeyYJFHTWVSUGVZRF-UHFFFAOYSA-N
XLogP6.90
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 ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-pentyl-N-propylbenzamide
CID 42718039
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-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylbenzamide
CID 7412483
4-butyl-N-[2-(dimethylamino)ethyl]-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42719503
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-4-ethyl-N-propylbenzamide
CID 42711389
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-butylbenzamide
CID 42715950
N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbenzamide
CID 42718076
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylpropanamide
CID 42721977
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylpropanamide
CID 42721878
2-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylbenzamide
CID 3396625
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexyl-3-methoxybenzamide
CID 5225389

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide?
The IUPAC name of 4-butyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide (CID 3431671) is 4-butyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide.
What is the SMILES notation for 4-butyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide?
The canonical SMILES for 4-butyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide is CCCCc1ccc(C(=O)N(CCC)C(C)c2nc3ccccc3c(=O)n2-c2ccc(CC)cc2)cc1.
What is the InChIKey of 4-butyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide?
The InChIKey is YJFHTWVSUGVZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O2/c1-5-8-11-25-14-18-26(19-15-25)31(36)34(22-6-2)23(4)30-33-29-13-10-9-12-28(29)32(37)35(30)27-20-16-24(7-3)17-21-27/h9-10,12-21,23H,5-8,11,22H2,1-4H3.
What are the key properties of 4-butyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide?
4-butyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide has a molecular weight of 495.67 g/mol, XLogP of 6.90, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide is sourced from PubChem (CID 3431671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).