ethane;7-fluoro-1-methyl-3,4-dihydro-2H-quinoline

C12H18FN — CID 145098323

IUPACethane;7-fluoro-1-methyl-3,4-dihydro-2H-quinoline
SMILESCC.CN1CCCc2ccc(F)cc21
InChIInChI=1S/C10H12FN.C2H6/c1-12-6-2-3-8-4-5-9(11)7-10(8)12;1-2/h4-5,7H,2-3,6H2,1H3;1-2H3
InChIKeyILVPAJWFNGZJJJ-UHFFFAOYSA-N
MW195.28 g/mol
LogP3.23
Rot. Bonds

About ethane;7-fluoro-1-methyl-3,4-dihydro-2H-quinoline

ethane;7-fluoro-1-methyl-3,4-dihydro-2H-quinoline (PubChem CID 145098323) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is ethane;7-fluoro-1-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Nameethane;7-fluoro-1-methyl-3,4-dihydro-2H-quinoline
PubChem CID145098323
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Nameethane;7-fluoro-1-methyl-3,4-dihydro-2H-quinoline
SMILESCC.CN1CCCc2ccc(F)cc21
InChIInChI=1S/C10H12FN.C2H6/c1-12-6-2-3-8-4-5-9(11)7-10(8)12;1-2/h4-5,7H,2-3,6H2,1H3;1-2H3
InChIKeyILVPAJWFNGZJJJ-UHFFFAOYSA-N
XLogP3.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;7-fluoro-1-methyl-3,4-dihydro-2H-quinoline 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

7-fluoro-1-methyl-3,4-dihydro-2H-quinoline
CID 129259469
7-bromo-1-methyl-3,4-dihydro-2H-quinoline
CID 82618152
CID 158124284
CID 158124284
1-methyl-3,4-dihydro-2H-quinoline-7-carbaldehyde
CID 82411141
methane;1-methyl-3,4-dihydro-2H-quinoline
CID 158932753
ethane;1-methyl-3,4-dihydro-2H-quinoline
CID 91236662
N-(4-fluorophenyl)-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 82537194
ethane;1-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 145058420
sodium;hydride;1-methyl-3,4-dihydro-2H-quinoline-7-sulfonic acid
CID 173415123
2-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)propan-1-ol
CID 117313410
O-[2-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)ethyl]hydroxylamine
CID 117295178
methane;1-methyl-2,3,4,5-tetrahydro-1-benzazepine
CID 161272103

Frequently Asked Questions

What is the IUPAC name of ethane;7-fluoro-1-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of ethane;7-fluoro-1-methyl-3,4-dihydro-2H-quinoline (CID 145098323) is ethane;7-fluoro-1-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for ethane;7-fluoro-1-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for ethane;7-fluoro-1-methyl-3,4-dihydro-2H-quinoline is CC.CN1CCCc2ccc(F)cc21.
What is the InChIKey of ethane;7-fluoro-1-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is ILVPAJWFNGZJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN.C2H6/c1-12-6-2-3-8-4-5-9(11)7-10(8)12;1-2/h4-5,7H,2-3,6H2,1H3;1-2H3.
What are the key properties of ethane;7-fluoro-1-methyl-3,4-dihydro-2H-quinoline?
ethane;7-fluoro-1-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 195.28 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-fluoro-1-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 145098323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).