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

C18H17ClN2 — CID 63445925

IUPAC8-chloro-N-[(2-ethylphenyl)methyl]quinolin-5-amine
SMILESCCc1ccccc1CNc1ccc(Cl)c2ncccc12
InChIInChI=1S/C18H17ClN2/c1-2-13-6-3-4-7-14(13)12-21-17-10-9-16(19)18-15(17)8-5-11-20-18/h3-11,21H,2,12H2,1H3
InChIKeyYEXNORMJYDCYAO-UHFFFAOYSA-N
MW296.80 g/mol
LogP5.06
Rot. Bonds4

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

8-chloro-N-[(2-ethylphenyl)methyl]quinolin-5-amine (PubChem CID 63445925) has the molecular formula C18H17ClN2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 8-chloro-N-[(2-ethylphenyl)methyl]quinolin-5-amine.

Molecular Properties

Compound Name8-chloro-N-[(2-ethylphenyl)methyl]quinolin-5-amine
PubChem CID63445925
Molecular FormulaC18H17ClN2
Molecular Weight296.80 g/mol
Exact Mass296.11
IUPAC Name8-chloro-N-[(2-ethylphenyl)methyl]quinolin-5-amine
SMILESCCc1ccccc1CNc1ccc(Cl)c2ncccc12
InChIInChI=1S/C18H17ClN2/c1-2-13-6-3-4-7-14(13)12-21-17-10-9-16(19)18-15(17)8-5-11-20-18/h3-11,21H,2,12H2,1H3
InChIKeyYEXNORMJYDCYAO-UHFFFAOYSA-N
XLogP5.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.80
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(8-chloroquinolin-5-yl)amino]methyl]benzonitrile
CID 107935902
5-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine
CID 60928600
8-chloro-N-(2,2-dimethylpropyl)quinolin-5-amine
CID 61323719
8-chloro-N-heptylquinolin-5-amine
CID 43731731
N-[(4-bromophenyl)methyl]-8-chloroquinolin-5-amine
CID 43731668
N-[(2,3-dichlorophenyl)methyl]-8-methylquinolin-5-amine
CID 43731505
5-chloro-N-[(2-methoxyphenyl)methyl]quinolin-8-amine
CID 60927659
8-chloro-N-[(3-ethylimidazol-4-yl)methyl]quinolin-5-amine
CID 66132568
3-[[(8-chloroquinolin-5-yl)amino]methyl]phenol
CID 43731727
8-chloro-N-(1H-imidazol-5-ylmethyl)quinolin-5-amine
CID 62763903
8-chloro-N-[(5-iodofuran-2-yl)methyl]quinolin-5-amine
CID 43788302
N-[(5-chloroquinolin-8-yl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909212

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[(2-ethylphenyl)methyl]quinolin-5-amine?
The IUPAC name of 8-chloro-N-[(2-ethylphenyl)methyl]quinolin-5-amine (CID 63445925) is 8-chloro-N-[(2-ethylphenyl)methyl]quinolin-5-amine.
What is the SMILES notation for 8-chloro-N-[(2-ethylphenyl)methyl]quinolin-5-amine?
The canonical SMILES for 8-chloro-N-[(2-ethylphenyl)methyl]quinolin-5-amine is CCc1ccccc1CNc1ccc(Cl)c2ncccc12.
What is the InChIKey of 8-chloro-N-[(2-ethylphenyl)methyl]quinolin-5-amine?
The InChIKey is YEXNORMJYDCYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2/c1-2-13-6-3-4-7-14(13)12-21-17-10-9-16(19)18-15(17)8-5-11-20-18/h3-11,21H,2,12H2,1H3.
What are the key properties of 8-chloro-N-[(2-ethylphenyl)methyl]quinolin-5-amine?
8-chloro-N-[(2-ethylphenyl)methyl]quinolin-5-amine has a molecular weight of 296.80 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[(2-ethylphenyl)methyl]quinolin-5-amine is sourced from PubChem (CID 63445925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).