N-[(5-chloroquinolin-8-yl)methyl]-2-fluoro-4-methylaniline

C17H14ClFN2 — CID 115959079

IUPACN-[(5-chloroquinolin-8-yl)methyl]-2-fluoro-4-methylaniline
SMILESCc1ccc(NCc2ccc(Cl)c3cccnc23)c(F)c1
InChIInChI=1S/C17H14ClFN2/c1-11-4-7-16(15(19)9-11)21-10-12-5-6-14(18)13-3-2-8-20-17(12)13/h2-9,21H,10H2,1H3
InChIKeyPHOJYCSOOLHMPU-UHFFFAOYSA-N
MW300.76 g/mol
LogP4.95
Rot. Bonds3

About N-[(5-chloroquinolin-8-yl)methyl]-2-fluoro-4-methylaniline

N-[(5-chloroquinolin-8-yl)methyl]-2-fluoro-4-methylaniline (PubChem CID 115959079) has the molecular formula C17H14ClFN2 and a molecular weight of 300.76 g/mol. Its IUPAC name is N-[(5-chloroquinolin-8-yl)methyl]-2-fluoro-4-methylaniline.

Molecular Properties

Compound NameN-[(5-chloroquinolin-8-yl)methyl]-2-fluoro-4-methylaniline
PubChem CID115959079
Molecular FormulaC17H14ClFN2
Molecular Weight300.76 g/mol
Exact Mass300.08
IUPAC NameN-[(5-chloroquinolin-8-yl)methyl]-2-fluoro-4-methylaniline
SMILESCc1ccc(NCc2ccc(Cl)c3cccnc23)c(F)c1
InChIInChI=1S/C17H14ClFN2/c1-11-4-7-16(15(19)9-11)21-10-12-5-6-14(18)13-3-2-8-20-17(12)13/h2-9,21H,10H2,1H3
InChIKeyPHOJYCSOOLHMPU-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

Analyze N-[(5-chloroquinolin-8-yl)methyl]-2-fluoro-4-methylaniline 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

N-[(5-bromoquinolin-8-yl)methyl]-4-chloro-2-fluoroaniline
CID 115959158
4-bromo-2-chloro-N-[(5-chloroquinolin-8-yl)methyl]aniline
CID 115959103
5-chloro-N-[(2,5-difluorophenyl)methyl]quinolin-8-amine
CID 60927464
5-chloro-N-[(4-fluoro-3-methylphenyl)methyl]quinolin-8-amine
CID 63448788
N-[(2-chlorophenyl)methyl]-2-fluoro-4-methylaniline
CID 28879324
5-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine
CID 60928600
5-[(5-chloroquinolin-8-yl)methylamino]-2-methylphenol
CID 107699715
4-bromo-N-[(5-chloroquinolin-8-yl)methyl]-3-methylaniline
CID 115958965
N-[(5-bromoquinolin-8-yl)methyl]-2,5-dichloroaniline
CID 115958945
(5-chloroquinolin-8-yl)methylhydrazine
CID 112617928
N-[(4-fluoro-2-methylphenyl)methyl]-8-methylquinolin-5-amine
CID 62134419
N-[(5-chloroquinolin-8-yl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909212

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloroquinolin-8-yl)methyl]-2-fluoro-4-methylaniline?
The IUPAC name of N-[(5-chloroquinolin-8-yl)methyl]-2-fluoro-4-methylaniline (CID 115959079) is N-[(5-chloroquinolin-8-yl)methyl]-2-fluoro-4-methylaniline.
What is the SMILES notation for N-[(5-chloroquinolin-8-yl)methyl]-2-fluoro-4-methylaniline?
The canonical SMILES for N-[(5-chloroquinolin-8-yl)methyl]-2-fluoro-4-methylaniline is Cc1ccc(NCc2ccc(Cl)c3cccnc23)c(F)c1.
What is the InChIKey of N-[(5-chloroquinolin-8-yl)methyl]-2-fluoro-4-methylaniline?
The InChIKey is PHOJYCSOOLHMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2/c1-11-4-7-16(15(19)9-11)21-10-12-5-6-14(18)13-3-2-8-20-17(12)13/h2-9,21H,10H2,1H3.
What are the key properties of N-[(5-chloroquinolin-8-yl)methyl]-2-fluoro-4-methylaniline?
N-[(5-chloroquinolin-8-yl)methyl]-2-fluoro-4-methylaniline 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 N-[(5-chloroquinolin-8-yl)methyl]-2-fluoro-4-methylaniline is sourced from PubChem (CID 115959079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).