5-chloro-N-[(4-fluoro-3-methylphenyl)methyl]quinolin-8-amine

C17H14ClFN2 — CID 63448788

IUPAC5-chloro-N-[(4-fluoro-3-methylphenyl)methyl]quinolin-8-amine
SMILESCc1cc(CNc2ccc(Cl)c3cccnc23)ccc1F
InChIInChI=1S/C17H14ClFN2/c1-11-9-12(4-6-15(11)19)10-21-16-7-5-14(18)13-3-2-8-20-17(13)16/h2-9,21H,10H2,1H3
InChIKeyGVGUFUKSXWHCBR-UHFFFAOYSA-N
MW300.76 g/mol
LogP4.95
Rot. Bonds3

About 5-chloro-N-[(4-fluoro-3-methylphenyl)methyl]quinolin-8-amine

5-chloro-N-[(4-fluoro-3-methylphenyl)methyl]quinolin-8-amine (PubChem CID 63448788) has the molecular formula C17H14ClFN2 and a molecular weight of 300.76 g/mol. Its IUPAC name is 5-chloro-N-[(4-fluoro-3-methylphenyl)methyl]quinolin-8-amine.

Molecular Properties

Compound Name5-chloro-N-[(4-fluoro-3-methylphenyl)methyl]quinolin-8-amine
PubChem CID63448788
Molecular FormulaC17H14ClFN2
Molecular Weight300.76 g/mol
Exact Mass300.08
IUPAC Name5-chloro-N-[(4-fluoro-3-methylphenyl)methyl]quinolin-8-amine
SMILESCc1cc(CNc2ccc(Cl)c3cccnc23)ccc1F
InChIInChI=1S/C17H14ClFN2/c1-11-9-12(4-6-15(11)19)10-21-16-7-5-14(18)13-3-2-8-20-17(13)16/h2-9,21H,10H2,1H3
InChIKeyGVGUFUKSXWHCBR-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

5-chloro-N-[(2,5-difluorophenyl)methyl]quinolin-8-amine
CID 60927464
5-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine
CID 60928600
4-[[(5-chloroquinolin-8-yl)amino]methyl]benzonitrile
CID 60927125
N-[(5-chloroquinolin-8-yl)methyl]-2-fluoro-4-methylaniline
CID 115959079
4-chloro-2-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 62120578
N-[(4-bromo-3-fluorophenyl)methyl]-8-methylquinolin-5-amine
CID 81431405
5-chloro-N-[(5-methylthiophen-2-yl)methyl]quinolin-8-amine
CID 54862962
3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylaniline
CID 63419437
5-chloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]quinolin-8-amine
CID 62741375
5-chloro-N-[(1-ethylpyrazol-4-yl)methyl]quinolin-8-amine
CID 116783996
N-[(3-fluoro-4-methylphenyl)methyl]quinolin-8-amine
CID 63647013
2-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-3-methylaniline
CID 114251741

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-fluoro-3-methylphenyl)methyl]quinolin-8-amine?
The IUPAC name of 5-chloro-N-[(4-fluoro-3-methylphenyl)methyl]quinolin-8-amine (CID 63448788) is 5-chloro-N-[(4-fluoro-3-methylphenyl)methyl]quinolin-8-amine.
What is the SMILES notation for 5-chloro-N-[(4-fluoro-3-methylphenyl)methyl]quinolin-8-amine?
The canonical SMILES for 5-chloro-N-[(4-fluoro-3-methylphenyl)methyl]quinolin-8-amine is Cc1cc(CNc2ccc(Cl)c3cccnc23)ccc1F.
What is the InChIKey of 5-chloro-N-[(4-fluoro-3-methylphenyl)methyl]quinolin-8-amine?
The InChIKey is GVGUFUKSXWHCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2/c1-11-9-12(4-6-15(11)19)10-21-16-7-5-14(18)13-3-2-8-20-17(13)16/h2-9,21H,10H2,1H3.
What are the key properties of 5-chloro-N-[(4-fluoro-3-methylphenyl)methyl]quinolin-8-amine?
5-chloro-N-[(4-fluoro-3-methylphenyl)methyl]quinolin-8-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 5-chloro-N-[(4-fluoro-3-methylphenyl)methyl]quinolin-8-amine is sourced from PubChem (CID 63448788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).