4-butyl-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)benzamide

C35H34ClN3O2 — CID 42657450

IUPAC4-butyl-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)benzamide
SMILESCCCCc1ccc(C(=O)N(CCc2ccccc2)C(C)c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C35H34ClN3O2/c1-3-4-10-27-15-17-28(18-16-27)34(40)38(24-23-26-11-6-5-7-12-26)25(2)33-37-32-14-9-8-13-31(32)35(41)39(33)30-21-19-29(36)20-22-30/h5-9,11-22,25H,3-4,10,23-24H2,1-2H3
InChIKeyAXULECJZTRTWMP-UHFFFAOYSA-N
MW564.13 g/mol
LogP7.83
Rot. Bonds10

About 4-butyl-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)benzamide

4-butyl-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)benzamide (PubChem CID 42657450) has the molecular formula C35H34ClN3O2 and a molecular weight of 564.13 g/mol. Its IUPAC name is 4-butyl-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-butyl-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)benzamide
PubChem CID42657450
Molecular FormulaC35H34ClN3O2
Molecular Weight564.13 g/mol
Exact Mass563.23
IUPAC Name4-butyl-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)benzamide
SMILESCCCCc1ccc(C(=O)N(CCc2ccccc2)C(C)c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C35H34ClN3O2/c1-3-4-10-27-15-17-28(18-16-27)34(40)38(24-23-26-11-6-5-7-12-26)25(2)33-37-32-14-9-8-13-31(32)35(41)39(33)30-21-19-29(36)20-22-30/h5-9,11-22,25H,3-4,10,23-24H2,1-2H3
InChIKeyAXULECJZTRTWMP-UHFFFAOYSA-N
XLogP7.83
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.13
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-butyl-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)benzamide
CID 4312468
4-butyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide
CID 3431671
4-chloro-N-hexyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide
CID 42715740
N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-pentyl-N-propylbenzamide
CID 42718039
4-butyl-N-[2-(dimethylamino)ethyl]-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42719503
4-butyl-N-[1-[7-chloro-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylbenzamide
CID 5106854
N-butyl-4-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 42711515
4-chloro-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbenzamide
CID 42721424
4-butyl-N-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylbenzamide
CID 7412483
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
4-chloro-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-phenylethyl)benzamide
CID 3969732

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-butyl-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)benzamide (CID 42657450) is 4-butyl-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-butyl-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-butyl-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)benzamide is CCCCc1ccc(C(=O)N(CCc2ccccc2)C(C)c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-butyl-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)benzamide?
The InChIKey is AXULECJZTRTWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34ClN3O2/c1-3-4-10-27-15-17-28(18-16-27)34(40)38(24-23-26-11-6-5-7-12-26)25(2)33-37-32-14-9-8-13-31(32)35(41)39(33)30-21-19-29(36)20-22-30/h5-9,11-22,25H,3-4,10,23-24H2,1-2H3.
What are the key properties of 4-butyl-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)benzamide?
4-butyl-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)benzamide has a molecular weight of 564.13 g/mol, XLogP of 7.83, 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-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 42657450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).