6-chloro-N-[(3-fluorophenyl)methyl]-8-methylquinolin-5-amine

C17H14ClFN2 — CID 43674609

IUPAC6-chloro-N-[(3-fluorophenyl)methyl]-8-methylquinolin-5-amine
SMILESCc1cc(Cl)c(NCc2cccc(F)c2)c2cccnc12
InChIInChI=1S/C17H14ClFN2/c1-11-8-15(18)17(14-6-3-7-20-16(11)14)21-10-12-4-2-5-13(19)9-12/h2-9,21H,10H2,1H3
InChIKeyLWKUCAITIHIRHJ-UHFFFAOYSA-N
MW300.76 g/mol
LogP4.95
Rot. Bonds3

About 6-chloro-N-[(3-fluorophenyl)methyl]-8-methylquinolin-5-amine

6-chloro-N-[(3-fluorophenyl)methyl]-8-methylquinolin-5-amine (PubChem CID 43674609) has the molecular formula C17H14ClFN2 and a molecular weight of 300.76 g/mol. Its IUPAC name is 6-chloro-N-[(3-fluorophenyl)methyl]-8-methylquinolin-5-amine.

Molecular Properties

Compound Name6-chloro-N-[(3-fluorophenyl)methyl]-8-methylquinolin-5-amine
PubChem CID43674609
Molecular FormulaC17H14ClFN2
Molecular Weight300.76 g/mol
Exact Mass300.08
IUPAC Name6-chloro-N-[(3-fluorophenyl)methyl]-8-methylquinolin-5-amine
SMILESCc1cc(Cl)c(NCc2cccc(F)c2)c2cccnc12
InChIInChI=1S/C17H14ClFN2/c1-11-8-15(18)17(14-6-3-7-20-16(11)14)21-10-12-4-2-5-13(19)9-12/h2-9,21H,10H2,1H3
InChIKeyLWKUCAITIHIRHJ-UHFFFAOYSA-N
XLogP4.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-8-methyl-N-[(2-methylphenyl)methyl]quinolin-5-amine
CID 43674610
2-chloro-N-[(3-fluorophenyl)methyl]-6-methylaniline
CID 66253216
6-chloro-N-(3,3-dimethylbutyl)-8-methylquinolin-5-amine
CID 63427847
6-chloro-N-(1H-imidazol-5-ylmethyl)-8-methylquinolin-5-amine
CID 62763180
6-[[(6-chloro-8-methylquinolin-5-yl)amino]methyl]pyridin-3-ol
CID 79782036
6-chloro-N-[(1-ethylimidazol-2-yl)methyl]-8-methylquinolin-5-amine
CID 62357068
N-[(3-aminothiophen-2-yl)methyl]-6-chloro-8-methylquinolin-5-amine
CID 66385330
8-N-[(3-fluorophenyl)methyl]quinoline-5,8-diamine
CID 43450144
6-chloro-8-methyl-N-(2-methylpentyl)quinolin-5-amine
CID 43674590
2-chloro-N-[(3-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-4-amine
CID 118239615
6-chloro-N-cyclohexyl-8-methylquinolin-5-amine
CID 43674648
5-chloro-N-[(4-fluoro-3-methylphenyl)methyl]quinolin-8-amine
CID 63448788

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-fluorophenyl)methyl]-8-methylquinolin-5-amine?
The IUPAC name of 6-chloro-N-[(3-fluorophenyl)methyl]-8-methylquinolin-5-amine (CID 43674609) is 6-chloro-N-[(3-fluorophenyl)methyl]-8-methylquinolin-5-amine.
What is the SMILES notation for 6-chloro-N-[(3-fluorophenyl)methyl]-8-methylquinolin-5-amine?
The canonical SMILES for 6-chloro-N-[(3-fluorophenyl)methyl]-8-methylquinolin-5-amine is Cc1cc(Cl)c(NCc2cccc(F)c2)c2cccnc12.
What is the InChIKey of 6-chloro-N-[(3-fluorophenyl)methyl]-8-methylquinolin-5-amine?
The InChIKey is LWKUCAITIHIRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2/c1-11-8-15(18)17(14-6-3-7-20-16(11)14)21-10-12-4-2-5-13(19)9-12/h2-9,21H,10H2,1H3.
What are the key properties of 6-chloro-N-[(3-fluorophenyl)methyl]-8-methylquinolin-5-amine?
6-chloro-N-[(3-fluorophenyl)methyl]-8-methylquinolin-5-amine has a molecular weight of 300.76 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3-fluorophenyl)methyl]-8-methylquinolin-5-amine is sourced from PubChem (CID 43674609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).