5-chloro-N-[(2,5-difluorophenyl)methyl]quinolin-8-amine

C16H11ClF2N2 — CID 60927464

IUPAC5-chloro-N-[(2,5-difluorophenyl)methyl]quinolin-8-amine
SMILESFc1ccc(F)c(CNc2ccc(Cl)c3cccnc23)c1
InChIInChI=1S/C16H11ClF2N2/c17-13-4-6-15(16-12(13)2-1-7-20-16)21-9-10-8-11(18)3-5-14(10)19/h1-8,21H,9H2
InChIKeyZJUWXNGWKMWWST-UHFFFAOYSA-N
MW304.73 g/mol
LogP4.78
Rot. Bonds3

About 5-chloro-N-[(2,5-difluorophenyl)methyl]quinolin-8-amine

5-chloro-N-[(2,5-difluorophenyl)methyl]quinolin-8-amine (PubChem CID 60927464) has the molecular formula C16H11ClF2N2 and a molecular weight of 304.73 g/mol. Its IUPAC name is 5-chloro-N-[(2,5-difluorophenyl)methyl]quinolin-8-amine.

Molecular Properties

Compound Name5-chloro-N-[(2,5-difluorophenyl)methyl]quinolin-8-amine
PubChem CID60927464
Molecular FormulaC16H11ClF2N2
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name5-chloro-N-[(2,5-difluorophenyl)methyl]quinolin-8-amine
SMILESFc1ccc(F)c(CNc2ccc(Cl)c3cccnc23)c1
InChIInChI=1S/C16H11ClF2N2/c17-13-4-6-15(16-12(13)2-1-7-20-16)21-9-10-8-11(18)3-5-14(10)19/h1-8,21H,9H2
InChIKeyZJUWXNGWKMWWST-UHFFFAOYSA-N
XLogP4.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[(4-fluoro-3-methylphenyl)methyl]quinolin-8-amine
CID 63448788
5-chloro-N-[(2-methoxyphenyl)methyl]quinolin-8-amine
CID 60927659
N-[(5-chloroquinolin-8-yl)methyl]-2-fluoro-4-methylaniline
CID 115959079
5-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine
CID 60928600
1-N-(5-chloroquinolin-8-yl)-4-fluorobenzene-1,2-diamine
CID 116782991
N-[(4-fluoro-2-methylphenyl)methyl]-8-methylquinolin-5-amine
CID 62134419
4-bromo-2-chloro-N-[(5-chloroquinolin-8-yl)methyl]aniline
CID 115959103
N-[(5-bromoquinolin-8-yl)methyl]-4-chloro-2-fluoroaniline
CID 115959158
3-[[(5-chloroquinolin-8-yl)amino]methyl]thiophene-2-carboxylic acid
CID 103267146
2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline
CID 115959082
5-chloro-N-[(5-methylthiophen-2-yl)methyl]quinolin-8-amine
CID 54862962
4-[[(5-chloroquinolin-8-yl)amino]methyl]benzonitrile
CID 60927125

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2,5-difluorophenyl)methyl]quinolin-8-amine?
The IUPAC name of 5-chloro-N-[(2,5-difluorophenyl)methyl]quinolin-8-amine (CID 60927464) is 5-chloro-N-[(2,5-difluorophenyl)methyl]quinolin-8-amine.
What is the SMILES notation for 5-chloro-N-[(2,5-difluorophenyl)methyl]quinolin-8-amine?
The canonical SMILES for 5-chloro-N-[(2,5-difluorophenyl)methyl]quinolin-8-amine is Fc1ccc(F)c(CNc2ccc(Cl)c3cccnc23)c1.
What is the InChIKey of 5-chloro-N-[(2,5-difluorophenyl)methyl]quinolin-8-amine?
The InChIKey is ZJUWXNGWKMWWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF2N2/c17-13-4-6-15(16-12(13)2-1-7-20-16)21-9-10-8-11(18)3-5-14(10)19/h1-8,21H,9H2.
What are the key properties of 5-chloro-N-[(2,5-difluorophenyl)methyl]quinolin-8-amine?
5-chloro-N-[(2,5-difluorophenyl)methyl]quinolin-8-amine has a molecular weight of 304.73 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2,5-difluorophenyl)methyl]quinolin-8-amine is sourced from PubChem (CID 60927464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).