N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-4-methyl-N-propylbenzenesulfonamide

C21H24ClN3O3S — CID 42713962

IUPACN-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-4-methyl-N-propylbenzenesulfonamide
SMILESCCCN(C(C)c1nc2ccc(Cl)cc2c(=O)n1C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H24ClN3O3S/c1-5-12-25(29(27,28)17-9-6-14(2)7-10-17)15(3)20-23-19-11-8-16(22)13-18(19)21(26)24(20)4/h6-11,13,15H,5,12H2,1-4H3
InChIKeyUPSKELBVXSQZOF-UHFFFAOYSA-N
MW433.96 g/mol
LogP4.06
Rot. Bonds6

About N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-4-methyl-N-propylbenzenesulfonamide

N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-4-methyl-N-propylbenzenesulfonamide (PubChem CID 42713962) has the molecular formula C21H24ClN3O3S and a molecular weight of 433.96 g/mol. Its IUPAC name is N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-4-methyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-4-methyl-N-propylbenzenesulfonamide
PubChem CID42713962
Molecular FormulaC21H24ClN3O3S
Molecular Weight433.96 g/mol
Exact Mass433.12
IUPAC NameN-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-4-methyl-N-propylbenzenesulfonamide
SMILESCCCN(C(C)c1nc2ccc(Cl)cc2c(=O)n1C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H24ClN3O3S/c1-5-12-25(29(27,28)17-9-6-14(2)7-10-17)15(3)20-23-19-11-8-16(22)13-18(19)21(26)24(20)4/h6-11,13,15H,5,12H2,1-4H3
InChIKeyUPSKELBVXSQZOF-UHFFFAOYSA-N
XLogP4.06
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.96
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylbutanamide
CID 42713927
N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)butanamide
CID 42713965
N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 42720468
N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylnaphthalene-2-carboxamide
CID 42713947
N-ethyl-4-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzenesulfonamide
CID 42718013
6-chloro-3-methyl-2-[1-[3-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-one
CID 59701129
N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide
CID 42711164
N-butyl-3,4-dichloro-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 42713904
1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)-1-ethylurea
CID 42711223
4-bromo-N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 42713910
N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]cyclopentanecarboxamide
CID 42713909
4-methoxy-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]-N-propylbenzenesulfonamide
CID 42720812

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-4-methyl-N-propylbenzenesulfonamide?
The IUPAC name of N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-4-methyl-N-propylbenzenesulfonamide (CID 42713962) is N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-4-methyl-N-propylbenzenesulfonamide.
What is the SMILES notation for N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-4-methyl-N-propylbenzenesulfonamide?
The canonical SMILES for N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-4-methyl-N-propylbenzenesulfonamide is CCCN(C(C)c1nc2ccc(Cl)cc2c(=O)n1C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-4-methyl-N-propylbenzenesulfonamide?
The InChIKey is UPSKELBVXSQZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3S/c1-5-12-25(29(27,28)17-9-6-14(2)7-10-17)15(3)20-23-19-11-8-16(22)13-18(19)21(26)24(20)4/h6-11,13,15H,5,12H2,1-4H3.
What are the key properties of N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-4-methyl-N-propylbenzenesulfonamide?
N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-4-methyl-N-propylbenzenesulfonamide has a molecular weight of 433.96 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-4-methyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 42713962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).