1-(2-methylphenyl)-2-oxo-4-[2-(sulfamoylamino)ethylamino]-7-(trifluoromethyl)quinazoline

C18H18F3N5O3S — CID 146976377

IUPAC1-(2-methylphenyl)-2-oxo-4-[2-(sulfamoylamino)ethylamino]-7-(trifluoromethyl)quinazoline
SMILESCc1ccccc1-n1c(=O)nc(NCCNS(N)(=O)=O)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C18H18F3N5O3S/c1-11-4-2-3-5-14(11)26-15-10-12(18(19,20)21)6-7-13(15)16(25-17(26)27)23-8-9-24-30(22,28)29/h2-7,10,24H,8-9H2,1H3,(H2,22,28,29)(H,23,25,27)
InChIKeyANLAZYXRKMUTNU-UHFFFAOYSA-N
MW441.44 g/mol
LogP1.92
Rot. Bonds6

About 1-(2-methylphenyl)-2-oxo-4-[2-(sulfamoylamino)ethylamino]-7-(trifluoromethyl)quinazoline

1-(2-methylphenyl)-2-oxo-4-[2-(sulfamoylamino)ethylamino]-7-(trifluoromethyl)quinazoline (PubChem CID 146976377) has the molecular formula C18H18F3N5O3S and a molecular weight of 441.44 g/mol. Its IUPAC name is 1-(2-methylphenyl)-2-oxo-4-[2-(sulfamoylamino)ethylamino]-7-(trifluoromethyl)quinazoline.

Molecular Properties

Compound Name1-(2-methylphenyl)-2-oxo-4-[2-(sulfamoylamino)ethylamino]-7-(trifluoromethyl)quinazoline
PubChem CID146976377
Molecular FormulaC18H18F3N5O3S
Molecular Weight441.44 g/mol
Exact Mass441.11
IUPAC Name1-(2-methylphenyl)-2-oxo-4-[2-(sulfamoylamino)ethylamino]-7-(trifluoromethyl)quinazoline
SMILESCc1ccccc1-n1c(=O)nc(NCCNS(N)(=O)=O)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C18H18F3N5O3S/c1-11-4-2-3-5-14(11)26-15-10-12(18(19,20)21)6-7-13(15)16(25-17(26)27)23-8-9-24-30(22,28)29/h2-7,10,24H,8-9H2,1H3,(H2,22,28,29)(H,23,25,27)
InChIKeyANLAZYXRKMUTNU-UHFFFAOYSA-N
XLogP1.92
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.44
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2-methylphenyl)-2-oxo-4-[2-(sulfamoylamino)ethylamino]-7-(trifluoromethyl)quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-((2-oxo-1-(o-tolyl)-7-(trifluoromethyl)-1,2-dihydroquinazolin-4-yl)amino)ethane-1-sulfonamide
CID 146714109
4-Amino-1-phenyl-7-(trifluoromethyl)-hydroquinazolin-2-one
CID 146721284
4-(Methylamino)-1-(2-methylphenyl)-7-(trifluoromethyl)hydroquinazolin-2-one
CID 146970364
N-cyclopropyl-2-((2-oxo-1-(o-tolyl)-7-(trifluoromethyl)-1,2-dihydroquinazolin-4-yl)amino)ethane-1-sulfonamide
CID 148115080
1-Phenyl-4-[(2,2,2-trifluoroethyl)amino]-7-(trifluoromethyphydroquinazolin-2-one
CID 148228893
3[4-(Methylamino)-2-oxo-7-(trifluoro-methyl)hydroquinazolinyl]benzene-carbonitrile
CID 148743987
N,N-dimethyl-2-((2-oxo-1-(o-tolyl)-7-(trifluoromethyl)-1,2-dihydroquinazolin-4-yl)amino)ethane-1-sulfonamide
CID 149401402
4-((2-(difluoromethoxy)ethyl)amino)-1-phenyl-7-(trifluoromethyl)quinazolin-2(1H)-one
CID 149849441
7-fluoro-1-phenylquinazolin-2(1H)-one
CID 150027587
4-(methylamino)-1-phenyl-7-(trifluoromethyl)-2(1H)-Quinazolinone
CID 150275149
4-((cyclopropylmethyl)amino)-1-phenyl-7-(trifluoromethyl)quinazolin-2(1H)-one
CID 150333238
(R)-4-((1-cyclopropylethyl)amino)-1-phenyl-7-(trifluoromethyl)quinazolin-2(1H)-one
CID 150380887

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-2-oxo-4-[2-(sulfamoylamino)ethylamino]-7-(trifluoromethyl)quinazoline?
The IUPAC name of 1-(2-methylphenyl)-2-oxo-4-[2-(sulfamoylamino)ethylamino]-7-(trifluoromethyl)quinazoline (CID 146976377) is 1-(2-methylphenyl)-2-oxo-4-[2-(sulfamoylamino)ethylamino]-7-(trifluoromethyl)quinazoline.
What is the SMILES notation for 1-(2-methylphenyl)-2-oxo-4-[2-(sulfamoylamino)ethylamino]-7-(trifluoromethyl)quinazoline?
The canonical SMILES for 1-(2-methylphenyl)-2-oxo-4-[2-(sulfamoylamino)ethylamino]-7-(trifluoromethyl)quinazoline is Cc1ccccc1-n1c(=O)nc(NCCNS(N)(=O)=O)c2ccc(C(F)(F)F)cc21.
What is the InChIKey of 1-(2-methylphenyl)-2-oxo-4-[2-(sulfamoylamino)ethylamino]-7-(trifluoromethyl)quinazoline?
The InChIKey is ANLAZYXRKMUTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O3S/c1-11-4-2-3-5-14(11)26-15-10-12(18(19,20)21)6-7-13(15)16(25-17(26)27)23-8-9-24-30(22,28)29/h2-7,10,24H,8-9H2,1H3,(H2,22,28,29)(H,23,25,27).
What are the key properties of 1-(2-methylphenyl)-2-oxo-4-[2-(sulfamoylamino)ethylamino]-7-(trifluoromethyl)quinazoline?
1-(2-methylphenyl)-2-oxo-4-[2-(sulfamoylamino)ethylamino]-7-(trifluoromethyl)quinazoline has a molecular weight of 441.44 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-2-oxo-4-[2-(sulfamoylamino)ethylamino]-7-(trifluoromethyl)quinazoline is sourced from PubChem (CID 146976377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).