1-(2-methylphenyl)-2-oxo-4-[3-(sulfamoylamino)propylamino]-7-(trifluoromethyl)quinazoline

C19H20F3N5O3S — CID 154929364

IUPAC1-(2-methylphenyl)-2-oxo-4-[3-(sulfamoylamino)propylamino]-7-(trifluoromethyl)quinazoline
SMILESCc1ccccc1-n1c(=O)nc(NCCCNS(N)(=O)=O)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C19H20F3N5O3S/c1-12-5-2-3-6-15(12)27-16-11-13(19(20,21)22)7-8-14(16)17(26-18(27)28)24-9-4-10-25-31(23,29)30/h2-3,5-8,11,25H,4,9-10H2,1H3,(H2,23,29,30)(H,24,26,28)
InChIKeyAVUBYUJXKIPJDA-UHFFFAOYSA-N
MW455.46 g/mol
LogP2.31
Rot. Bonds7

About 1-(2-methylphenyl)-2-oxo-4-[3-(sulfamoylamino)propylamino]-7-(trifluoromethyl)quinazoline

1-(2-methylphenyl)-2-oxo-4-[3-(sulfamoylamino)propylamino]-7-(trifluoromethyl)quinazoline (PubChem CID 154929364) has the molecular formula C19H20F3N5O3S and a molecular weight of 455.46 g/mol. Its IUPAC name is 1-(2-methylphenyl)-2-oxo-4-[3-(sulfamoylamino)propylamino]-7-(trifluoromethyl)quinazoline.

Molecular Properties

Compound Name1-(2-methylphenyl)-2-oxo-4-[3-(sulfamoylamino)propylamino]-7-(trifluoromethyl)quinazoline
PubChem CID154929364
Molecular FormulaC19H20F3N5O3S
Molecular Weight455.46 g/mol
Exact Mass455.12
IUPAC Name1-(2-methylphenyl)-2-oxo-4-[3-(sulfamoylamino)propylamino]-7-(trifluoromethyl)quinazoline
SMILESCc1ccccc1-n1c(=O)nc(NCCCNS(N)(=O)=O)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C19H20F3N5O3S/c1-12-5-2-3-6-15(12)27-16-11-13(19(20,21)22)7-8-14(16)17(26-18(27)28)24-9-4-10-25-31(23,29)30/h2-3,5-8,11,25H,4,9-10H2,1H3,(H2,23,29,30)(H,24,26,28)
InChIKeyAVUBYUJXKIPJDA-UHFFFAOYSA-N
XLogP2.31
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.46
LogP ≤ 52.31
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-[3-(sulfamoylamino)propylamino]-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

4-(Benzylamino)-1,2-dihydroquinazolin-2-one
CID 25153233
1,3-Bis[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]urea;hydrochloride
CID 44531003
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
Amino(2-{[1-(2-methylphenyl)-2-oxo-7-(trifluoromethyl)hydroquinazolin-4-yl]-amino}ethyl)sulfonamide
CID 146976377
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-2-oxo-4-[3-(sulfamoylamino)propylamino]-7-(trifluoromethyl)quinazoline?
The IUPAC name of 1-(2-methylphenyl)-2-oxo-4-[3-(sulfamoylamino)propylamino]-7-(trifluoromethyl)quinazoline (CID 154929364) is 1-(2-methylphenyl)-2-oxo-4-[3-(sulfamoylamino)propylamino]-7-(trifluoromethyl)quinazoline.
What is the SMILES notation for 1-(2-methylphenyl)-2-oxo-4-[3-(sulfamoylamino)propylamino]-7-(trifluoromethyl)quinazoline?
The canonical SMILES for 1-(2-methylphenyl)-2-oxo-4-[3-(sulfamoylamino)propylamino]-7-(trifluoromethyl)quinazoline is Cc1ccccc1-n1c(=O)nc(NCCCNS(N)(=O)=O)c2ccc(C(F)(F)F)cc21.
What is the InChIKey of 1-(2-methylphenyl)-2-oxo-4-[3-(sulfamoylamino)propylamino]-7-(trifluoromethyl)quinazoline?
The InChIKey is AVUBYUJXKIPJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O3S/c1-12-5-2-3-6-15(12)27-16-11-13(19(20,21)22)7-8-14(16)17(26-18(27)28)24-9-4-10-25-31(23,29)30/h2-3,5-8,11,25H,4,9-10H2,1H3,(H2,23,29,30)(H,24,26,28).
What are the key properties of 1-(2-methylphenyl)-2-oxo-4-[3-(sulfamoylamino)propylamino]-7-(trifluoromethyl)quinazoline?
1-(2-methylphenyl)-2-oxo-4-[3-(sulfamoylamino)propylamino]-7-(trifluoromethyl)quinazoline has a molecular weight of 455.46 g/mol, XLogP of 2.31, 7 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-[3-(sulfamoylamino)propylamino]-7-(trifluoromethyl)quinazoline is sourced from PubChem (CID 154929364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).