7-chloro-1,2-dimethyl-3-(2-methylphenyl)-4-oxo-2H-quinazoline-6-sulfonamide

C17H18ClN3O3S — CID 163606286

IUPAC7-chloro-1,2-dimethyl-3-(2-methylphenyl)-4-oxo-2H-quinazoline-6-sulfonamide
SMILESCc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N(C)C1C
InChIInChI=1S/C17H18ClN3O3S/c1-10-6-4-5-7-14(10)21-11(2)20(3)15-9-13(18)16(25(19,23)24)8-12(15)17(21)22/h4-9,11H,1-3H3,(H2,19,23,24)
InChIKeyHCCCNKLFVAQKAI-UHFFFAOYSA-N
MW379.87 g/mol
LogP2.74
Rot. Bonds2

About 7-chloro-1,2-dimethyl-3-(2-methylphenyl)-4-oxo-2H-quinazoline-6-sulfonamide

7-chloro-1,2-dimethyl-3-(2-methylphenyl)-4-oxo-2H-quinazoline-6-sulfonamide (PubChem CID 163606286) has the molecular formula C17H18ClN3O3S and a molecular weight of 379.87 g/mol. Its IUPAC name is 7-chloro-1,2-dimethyl-3-(2-methylphenyl)-4-oxo-2H-quinazoline-6-sulfonamide.

Molecular Properties

Compound Name7-chloro-1,2-dimethyl-3-(2-methylphenyl)-4-oxo-2H-quinazoline-6-sulfonamide
PubChem CID163606286
Molecular FormulaC17H18ClN3O3S
Molecular Weight379.87 g/mol
Exact Mass379.08
IUPAC Name7-chloro-1,2-dimethyl-3-(2-methylphenyl)-4-oxo-2H-quinazoline-6-sulfonamide
SMILESCc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N(C)C1C
InChIInChI=1S/C17H18ClN3O3S/c1-10-6-4-5-7-14(10)21-11(2)20(3)15-9-13(18)16(25(19,23)24)8-12(15)17(21)22/h4-9,11H,1-3H3,(H2,19,23,24)
InChIKeyHCCCNKLFVAQKAI-UHFFFAOYSA-N
XLogP2.74
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1,2-dimethyl-3-(2-methylphenyl)-4-oxo-2H-quinazoline-6-sulfonamide?
The IUPAC name of 7-chloro-1,2-dimethyl-3-(2-methylphenyl)-4-oxo-2H-quinazoline-6-sulfonamide (CID 163606286) is 7-chloro-1,2-dimethyl-3-(2-methylphenyl)-4-oxo-2H-quinazoline-6-sulfonamide.
What is the SMILES notation for 7-chloro-1,2-dimethyl-3-(2-methylphenyl)-4-oxo-2H-quinazoline-6-sulfonamide?
The canonical SMILES for 7-chloro-1,2-dimethyl-3-(2-methylphenyl)-4-oxo-2H-quinazoline-6-sulfonamide is Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N(C)C1C.
What is the InChIKey of 7-chloro-1,2-dimethyl-3-(2-methylphenyl)-4-oxo-2H-quinazoline-6-sulfonamide?
The InChIKey is HCCCNKLFVAQKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3S/c1-10-6-4-5-7-14(10)21-11(2)20(3)15-9-13(18)16(25(19,23)24)8-12(15)17(21)22/h4-9,11H,1-3H3,(H2,19,23,24).
What are the key properties of 7-chloro-1,2-dimethyl-3-(2-methylphenyl)-4-oxo-2H-quinazoline-6-sulfonamide?
7-chloro-1,2-dimethyl-3-(2-methylphenyl)-4-oxo-2H-quinazoline-6-sulfonamide has a molecular weight of 379.87 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1,2-dimethyl-3-(2-methylphenyl)-4-oxo-2H-quinazoline-6-sulfonamide is sourced from PubChem (CID 163606286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).