2-(difluoromethyl)-3-methyl-4-phenylquinoline

C17H13F2N — CID 164676810

IUPAC2-(difluoromethyl)-3-methyl-4-phenylquinoline
SMILESCc1c(C(F)F)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C17H13F2N/c1-11-15(12-7-3-2-4-8-12)13-9-5-6-10-14(13)20-16(11)17(18)19/h2-10,17H,1H3
InChIKeyAUKLKQYTHNMYPY-UHFFFAOYSA-N
MW269.29 g/mol
LogP5.15
Rot. Bonds2

About 2-(difluoromethyl)-3-methyl-4-phenylquinoline

2-(difluoromethyl)-3-methyl-4-phenylquinoline (PubChem CID 164676810) has the molecular formula C17H13F2N and a molecular weight of 269.29 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-methyl-4-phenylquinoline.

Molecular Properties

Compound Name2-(difluoromethyl)-3-methyl-4-phenylquinoline
PubChem CID164676810
Molecular FormulaC17H13F2N
Molecular Weight269.29 g/mol
Exact Mass269.10
IUPAC Name2-(difluoromethyl)-3-methyl-4-phenylquinoline
SMILESCc1c(C(F)F)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C17H13F2N/c1-11-15(12-7-3-2-4-8-12)13-9-5-6-10-14(13)20-16(11)17(18)19/h2-10,17H,1H3
InChIKeyAUKLKQYTHNMYPY-UHFFFAOYSA-N
XLogP5.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.29
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(difluoromethyl)-3-methylquinoline
CID 154021471
5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine;5,8-diphenyl-6,7-dihydroquinolino[3,2-c]acridine
CID 158548153
N-butan-2-yl-3-methyl-N-(111C)methyl-4-phenylquinoline-2-carboxamide
CID 10830359
12-(4-methylphenyl)benzo[a]acridine
CID 46187960
3-(aminomethyl)-4-phenylquinolin-2-amine
CID 10285988
1-(difluoromethyl)-3-phenylisoquinoline
CID 158150441
3,4-bis(4-methylphenyl)quinolin-2-amine
CID 102531411
9,10-diphenylanthracene;ethane;9-methyl-10-phenylanthracene
CID 143856164
2-methyl-5-phenylquinolin-6-amine
CID 69132154
3-methyl-2,4-diphenylnaphthalen-1-amine
CID 174555006
3-chloro-2,4-diphenylquinoline
CID 10781654
2-(2-methyl-4-phenylquinolin-3-yl)-N-propan-2-ylacetamide
CID 112759088

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-methyl-4-phenylquinoline?
The IUPAC name of 2-(difluoromethyl)-3-methyl-4-phenylquinoline (CID 164676810) is 2-(difluoromethyl)-3-methyl-4-phenylquinoline.
What is the SMILES notation for 2-(difluoromethyl)-3-methyl-4-phenylquinoline?
The canonical SMILES for 2-(difluoromethyl)-3-methyl-4-phenylquinoline is Cc1c(C(F)F)nc2ccccc2c1-c1ccccc1.
What is the InChIKey of 2-(difluoromethyl)-3-methyl-4-phenylquinoline?
The InChIKey is AUKLKQYTHNMYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N/c1-11-15(12-7-3-2-4-8-12)13-9-5-6-10-14(13)20-16(11)17(18)19/h2-10,17H,1H3.
What are the key properties of 2-(difluoromethyl)-3-methyl-4-phenylquinoline?
2-(difluoromethyl)-3-methyl-4-phenylquinoline has a molecular weight of 269.29 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-methyl-4-phenylquinoline is sourced from PubChem (CID 164676810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).