N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylpentanamide

C25H30ClN3O2 — CID 42717446

IUPACN-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylpentanamide
SMILESCCCCC(=O)N(CCC)C(C)c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1C
InChIInChI=1S/C25H30ClN3O2/c1-5-7-12-23(30)28(15-6-2)18(4)24-27-21-11-9-8-10-20(21)25(31)29(24)22-14-13-19(26)16-17(22)3/h8-11,13-14,16,18H,5-7,12,15H2,1-4H3
InChIKeyDOTSOLVXEHEEGO-UHFFFAOYSA-N
MW439.99 g/mol
LogP5.84
Rot. Bonds8

About N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylpentanamide

N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylpentanamide (PubChem CID 42717446) has the molecular formula C25H30ClN3O2 and a molecular weight of 439.99 g/mol. Its IUPAC name is N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylpentanamide.

Molecular Properties

Compound NameN-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylpentanamide
PubChem CID42717446
Molecular FormulaC25H30ClN3O2
Molecular Weight439.99 g/mol
Exact Mass439.20
IUPAC NameN-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylpentanamide
SMILESCCCCC(=O)N(CCC)C(C)c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1C
InChIInChI=1S/C25H30ClN3O2/c1-5-7-12-23(30)28(15-6-2)18(4)24-27-21-11-9-8-10-20(21)25(31)29(24)22-14-13-19(26)16-17(22)3/h8-11,13-14,16,18H,5-7,12,15H2,1-4H3
InChIKeyDOTSOLVXEHEEGO-UHFFFAOYSA-N
XLogP5.84
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.99
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylbenzamide
CID 4032184
N-butyl-2,4-dichloro-N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 4553731
N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethyl-2-methylpropanamide
CID 42716809
ethyl 4-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl-propylamino]-4-oxobutanoate
CID 42720528
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3,3-dimethyl-N-propylbutanamide
CID 42720522
N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propyldecanamide
CID 42717349
3-(3-chlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-propylurea
CID 42720531
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylbutanamide
CID 42719955
N-butyl-N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]butanamide
CID 42720622
N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylpentanamide
CID 42719458
N-[2-(dimethylamino)ethyl]-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]pentanamide
CID 42721442
N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbutanamide
CID 42720427

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylpentanamide?
The IUPAC name of N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylpentanamide (CID 42717446) is N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylpentanamide.
What is the SMILES notation for N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylpentanamide?
The canonical SMILES for N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylpentanamide is CCCCC(=O)N(CCC)C(C)c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1C.
What is the InChIKey of N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylpentanamide?
The InChIKey is DOTSOLVXEHEEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O2/c1-5-7-12-23(30)28(15-6-2)18(4)24-27-21-11-9-8-10-20(21)25(31)29(24)22-14-13-19(26)16-17(22)3/h8-11,13-14,16,18H,5-7,12,15H2,1-4H3.
What are the key properties of N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylpentanamide?
N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylpentanamide has a molecular weight of 439.99 g/mol, XLogP of 5.84, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylpentanamide is sourced from PubChem (CID 42717446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).