2-cyclopropyl-3-(2-methylphenyl)-4-oxo-7-(trifluoromethyl)-1,2-dihydroquinazoline-6-sulfonamide

C19H18F3N3O3S — CID 163810445

IUPAC2-cyclopropyl-3-(2-methylphenyl)-4-oxo-7-(trifluoromethyl)-1,2-dihydroquinazoline-6-sulfonamide
SMILESCc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(C(F)(F)F)cc2NC1C1CC1
InChIInChI=1S/C19H18F3N3O3S/c1-10-4-2-3-5-15(10)25-17(11-6-7-11)24-14-9-13(19(20,21)22)16(29(23,27)28)8-12(14)18(25)26/h2-5,8-9,11,17,24H,6-7H2,1H3,(H2,23,27,28)
InChIKeyNMTRSLSCXGRZKK-UHFFFAOYSA-N
MW425.43 g/mol
LogP3.47
Rot. Bonds3

About 2-cyclopropyl-3-(2-methylphenyl)-4-oxo-7-(trifluoromethyl)-1,2-dihydroquinazoline-6-sulfonamide

2-cyclopropyl-3-(2-methylphenyl)-4-oxo-7-(trifluoromethyl)-1,2-dihydroquinazoline-6-sulfonamide (PubChem CID 163810445) has the molecular formula C19H18F3N3O3S and a molecular weight of 425.43 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2-methylphenyl)-4-oxo-7-(trifluoromethyl)-1,2-dihydroquinazoline-6-sulfonamide.

Molecular Properties

Compound Name2-cyclopropyl-3-(2-methylphenyl)-4-oxo-7-(trifluoromethyl)-1,2-dihydroquinazoline-6-sulfonamide
PubChem CID163810445
Molecular FormulaC19H18F3N3O3S
Molecular Weight425.43 g/mol
Exact Mass425.10
IUPAC Name2-cyclopropyl-3-(2-methylphenyl)-4-oxo-7-(trifluoromethyl)-1,2-dihydroquinazoline-6-sulfonamide
SMILESCc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(C(F)(F)F)cc2NC1C1CC1
InChIInChI=1S/C19H18F3N3O3S/c1-10-4-2-3-5-15(10)25-17(11-6-7-11)24-14-9-13(19(20,21)22)16(29(23,27)28)8-12(14)18(25)26/h2-5,8-9,11,17,24H,6-7H2,1H3,(H2,23,27,28)
InChIKeyNMTRSLSCXGRZKK-UHFFFAOYSA-N
XLogP3.47
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.43
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2-methylphenyl)-4-oxo-7-(trifluoromethyl)-1,2-dihydroquinazoline-6-sulfonamide?
The IUPAC name of 2-cyclopropyl-3-(2-methylphenyl)-4-oxo-7-(trifluoromethyl)-1,2-dihydroquinazoline-6-sulfonamide (CID 163810445) is 2-cyclopropyl-3-(2-methylphenyl)-4-oxo-7-(trifluoromethyl)-1,2-dihydroquinazoline-6-sulfonamide.
What is the SMILES notation for 2-cyclopropyl-3-(2-methylphenyl)-4-oxo-7-(trifluoromethyl)-1,2-dihydroquinazoline-6-sulfonamide?
The canonical SMILES for 2-cyclopropyl-3-(2-methylphenyl)-4-oxo-7-(trifluoromethyl)-1,2-dihydroquinazoline-6-sulfonamide is Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(C(F)(F)F)cc2NC1C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2-methylphenyl)-4-oxo-7-(trifluoromethyl)-1,2-dihydroquinazoline-6-sulfonamide?
The InChIKey is NMTRSLSCXGRZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O3S/c1-10-4-2-3-5-15(10)25-17(11-6-7-11)24-14-9-13(19(20,21)22)16(29(23,27)28)8-12(14)18(25)26/h2-5,8-9,11,17,24H,6-7H2,1H3,(H2,23,27,28).
What are the key properties of 2-cyclopropyl-3-(2-methylphenyl)-4-oxo-7-(trifluoromethyl)-1,2-dihydroquinazoline-6-sulfonamide?
2-cyclopropyl-3-(2-methylphenyl)-4-oxo-7-(trifluoromethyl)-1,2-dihydroquinazoline-6-sulfonamide has a molecular weight of 425.43 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2-methylphenyl)-4-oxo-7-(trifluoromethyl)-1,2-dihydroquinazoline-6-sulfonamide is sourced from PubChem (CID 163810445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).