1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-cinnoline

C10H11F3N2 — CID 66847309

IUPAC1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-cinnoline
SMILESCN1NCCc2c1cccc2C(F)(F)F
InChIInChI=1S/C10H11F3N2/c1-15-9-4-2-3-8(10(11,12)13)7(9)5-6-14-15/h2-4,14H,5-6H2,1H3
InChIKeyUDRAGCSWEWHWOW-UHFFFAOYSA-N
MW216.21 g/mol
LogP2.20
Rot. Bonds

About 1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-cinnoline

1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-cinnoline (PubChem CID 66847309) has the molecular formula C10H11F3N2 and a molecular weight of 216.21 g/mol. Its IUPAC name is 1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-cinnoline.

Molecular Properties

Compound Name1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-cinnoline
PubChem CID66847309
Molecular FormulaC10H11F3N2
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC Name1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-cinnoline
SMILESCN1NCCc2c1cccc2C(F)(F)F
InChIInChI=1S/C10H11F3N2/c1-15-9-4-2-3-8(10(11,12)13)7(9)5-6-14-15/h2-4,14H,5-6H2,1H3
InChIKeyUDRAGCSWEWHWOW-UHFFFAOYSA-N
XLogP2.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-cinnoline 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

5-Amino-1,2,3,4-tetrahydroisoquinoline
CID 16217499
1,2,3,4-Tetrahydroquinolin-1-amine
CID 6423314
(4aR)-7-(3,3,3-trifluoropropyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
CID 162656505
1,2,3,4-Tetrahydro-5-methylquinoline
CID 13931070
5-(Trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 16244386
7-(Trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 2781139
trimethyl-[2-[(1-methyl-3,4-dihydro-2H-quinolin-1-ium-1-yl)amino]ethyl]azanium diiodide
CID 46883069
7-(Difluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 84658963
2-Methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 14171269
5-(7-Methyloctyl)-1,2,3,4-tetrahydroquinoline
CID 73053139
5aTHQ-9n
CID 106778340
5-Decyl-1,2,3,4-tetrahydroquinoline
CID 106778710

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-cinnoline?
The IUPAC name of 1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-cinnoline (CID 66847309) is 1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-cinnoline.
What is the SMILES notation for 1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-cinnoline?
The canonical SMILES for 1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-cinnoline is CN1NCCc2c1cccc2C(F)(F)F.
What is the InChIKey of 1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-cinnoline?
The InChIKey is UDRAGCSWEWHWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2/c1-15-9-4-2-3-8(10(11,12)13)7(9)5-6-14-15/h2-4,14H,5-6H2,1H3.
What are the key properties of 1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-cinnoline?
1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-cinnoline has a molecular weight of 216.21 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-cinnoline is sourced from PubChem (CID 66847309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).