2,2-dimethyl-6-(trifluoromethyl)-3,4,8,9-tetrahydro-1H-pyrido[3,2-g]quinoline-8-carbonitrile

C16H16F3N3 — CID 155519221

IUPAC2,2-dimethyl-6-(trifluoromethyl)-3,4,8,9-tetrahydro-1H-pyrido[3,2-g]quinoline-8-carbonitrile
SMILESCC1(C)CCc2cc3c(cc2N1)NC(C#N)C=C3C(F)(F)F
InChIInChI=1S/C16H16F3N3/c1-15(2)4-3-9-5-11-12(16(17,18)19)6-10(8-20)21-14(11)7-13(9)22-15/h5-7,10,21-22H,3-4H2,1-2H3
InChIKeyMYOJSDYCLRRKBG-UHFFFAOYSA-N
MW307.32 g/mol
LogP4.09
Rot. Bonds

About 2,2-dimethyl-6-(trifluoromethyl)-3,4,8,9-tetrahydro-1H-pyrido[3,2-g]quinoline-8-carbonitrile

2,2-dimethyl-6-(trifluoromethyl)-3,4,8,9-tetrahydro-1H-pyrido[3,2-g]quinoline-8-carbonitrile (PubChem CID 155519221) has the molecular formula C16H16F3N3 and a molecular weight of 307.32 g/mol. Its IUPAC name is 2,2-dimethyl-6-(trifluoromethyl)-3,4,8,9-tetrahydro-1H-pyrido[3,2-g]quinoline-8-carbonitrile.

Molecular Properties

Compound Name2,2-dimethyl-6-(trifluoromethyl)-3,4,8,9-tetrahydro-1H-pyrido[3,2-g]quinoline-8-carbonitrile
PubChem CID155519221
Molecular FormulaC16H16F3N3
Molecular Weight307.32 g/mol
Exact Mass307.13
IUPAC Name2,2-dimethyl-6-(trifluoromethyl)-3,4,8,9-tetrahydro-1H-pyrido[3,2-g]quinoline-8-carbonitrile
SMILESCC1(C)CCc2cc3c(cc2N1)NC(C#N)C=C3C(F)(F)F
InChIInChI=1S/C16H16F3N3/c1-15(2)4-3-9-5-11-12(16(17,18)19)6-10(8-20)21-14(11)7-13(9)22-15/h5-7,10,21-22H,3-4H2,1-2H3
InChIKeyMYOJSDYCLRRKBG-UHFFFAOYSA-N
XLogP4.09
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(trifluoromethyl)-3,4,8,9-tetrahydro-1H-pyrido[3,2-g]quinoline-8-carbonitrile?
The IUPAC name of 2,2-dimethyl-6-(trifluoromethyl)-3,4,8,9-tetrahydro-1H-pyrido[3,2-g]quinoline-8-carbonitrile (CID 155519221) is 2,2-dimethyl-6-(trifluoromethyl)-3,4,8,9-tetrahydro-1H-pyrido[3,2-g]quinoline-8-carbonitrile.
What is the SMILES notation for 2,2-dimethyl-6-(trifluoromethyl)-3,4,8,9-tetrahydro-1H-pyrido[3,2-g]quinoline-8-carbonitrile?
The canonical SMILES for 2,2-dimethyl-6-(trifluoromethyl)-3,4,8,9-tetrahydro-1H-pyrido[3,2-g]quinoline-8-carbonitrile is CC1(C)CCc2cc3c(cc2N1)NC(C#N)C=C3C(F)(F)F.
What is the InChIKey of 2,2-dimethyl-6-(trifluoromethyl)-3,4,8,9-tetrahydro-1H-pyrido[3,2-g]quinoline-8-carbonitrile?
The InChIKey is MYOJSDYCLRRKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3/c1-15(2)4-3-9-5-11-12(16(17,18)19)6-10(8-20)21-14(11)7-13(9)22-15/h5-7,10,21-22H,3-4H2,1-2H3.
What are the key properties of 2,2-dimethyl-6-(trifluoromethyl)-3,4,8,9-tetrahydro-1H-pyrido[3,2-g]quinoline-8-carbonitrile?
2,2-dimethyl-6-(trifluoromethyl)-3,4,8,9-tetrahydro-1H-pyrido[3,2-g]quinoline-8-carbonitrile has a molecular weight of 307.32 g/mol, XLogP of 4.09, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(trifluoromethyl)-3,4,8,9-tetrahydro-1H-pyrido[3,2-g]quinoline-8-carbonitrile is sourced from PubChem (CID 155519221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).