N-butyl-4-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide

C22H24ClN3O2 — CID 42711515

IUPACN-butyl-4-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
SMILESCCCCN(C(=O)c1ccc(Cl)cc1)C(C)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C22H24ClN3O2/c1-4-5-14-26(21(27)16-10-12-17(23)13-11-16)15(2)20-24-19-9-7-6-8-18(19)22(28)25(20)3/h6-13,15H,4-5,14H2,1-3H3
InChIKeyNYGSVEPTWQSOQV-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.59
Rot. Bonds6

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

N-butyl-4-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide (PubChem CID 42711515) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is N-butyl-4-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-butyl-4-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
PubChem CID42711515
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC NameN-butyl-4-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
SMILESCCCCN(C(=O)c1ccc(Cl)cc1)C(C)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C22H24ClN3O2/c1-4-5-14-26(21(27)16-10-12-17(23)13-11-16)15(2)20-24-19-9-7-6-8-18(19)22(28)25(20)3/h6-13,15H,4-5,14H2,1-3H3
InChIKeyNYGSVEPTWQSOQV-UHFFFAOYSA-N
XLogP4.59
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-hexyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide
CID 42715740
4-bromo-N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 42713910
4-chloro-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbenzamide
CID 42721424
N-butyl-3,4-dichloro-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 42713904
4-chloro-N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylbenzamide
CID 4032184
4-chloro-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide
CID 42713238
4-butyl-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)benzamide
CID 42657450
N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylnaphthalene-2-carboxamide
CID 42713947
(2R)-N-butyl-2-ethyl-N-[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]hexanamide
CID 7361866
N-hexyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]heptanamide
CID 42711596
N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide
CID 42711517
(E)-N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-phenylprop-2-enamide
CID 42711527

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide?
The IUPAC name of N-butyl-4-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide (CID 42711515) is N-butyl-4-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide.
What is the SMILES notation for N-butyl-4-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide?
The canonical SMILES for N-butyl-4-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide is CCCCN(C(=O)c1ccc(Cl)cc1)C(C)c1nc2ccccc2c(=O)n1C.
What is the InChIKey of N-butyl-4-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide?
The InChIKey is NYGSVEPTWQSOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-4-5-14-26(21(27)16-10-12-17(23)13-11-16)15(2)20-24-19-9-7-6-8-18(19)22(28)25(20)3/h6-13,15H,4-5,14H2,1-3H3.
What are the key properties of N-butyl-4-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide?
N-butyl-4-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide has a molecular weight of 397.91 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide is sourced from PubChem (CID 42711515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).