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

C18H17ClN2 — CID 43674610

IUPAC6-chloro-8-methyl-N-[(2-methylphenyl)methyl]quinolin-5-amine
SMILESCc1ccccc1CNc1c(Cl)cc(C)c2ncccc12
InChIInChI=1S/C18H17ClN2/c1-12-6-3-4-7-14(12)11-21-18-15-8-5-9-20-17(15)13(2)10-16(18)19/h3-10,21H,11H2,1-2H3
InChIKeyZUTSJFLBSWIAHM-UHFFFAOYSA-N
MW296.80 g/mol
LogP5.12
Rot. Bonds3

About 6-chloro-8-methyl-N-[(2-methylphenyl)methyl]quinolin-5-amine

6-chloro-8-methyl-N-[(2-methylphenyl)methyl]quinolin-5-amine (PubChem CID 43674610) has the molecular formula C18H17ClN2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 6-chloro-8-methyl-N-[(2-methylphenyl)methyl]quinolin-5-amine.

Molecular Properties

Compound Name6-chloro-8-methyl-N-[(2-methylphenyl)methyl]quinolin-5-amine
PubChem CID43674610
Molecular FormulaC18H17ClN2
Molecular Weight296.80 g/mol
Exact Mass296.11
IUPAC Name6-chloro-8-methyl-N-[(2-methylphenyl)methyl]quinolin-5-amine
SMILESCc1ccccc1CNc1c(Cl)cc(C)c2ncccc12
InChIInChI=1S/C18H17ClN2/c1-12-6-3-4-7-14(12)11-21-18-15-8-5-9-20-17(15)13(2)10-16(18)19/h3-10,21H,11H2,1-2H3
InChIKeyZUTSJFLBSWIAHM-UHFFFAOYSA-N
XLogP5.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.80
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine
CID 60928600
6-chloro-N-[(3-fluorophenyl)methyl]-8-methylquinolin-5-amine
CID 43674609
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
N-[(3-aminothiophen-2-yl)methyl]-6-chloro-8-methylquinolin-5-amine
CID 66385330
6-chloro-N-[(1-ethylimidazol-2-yl)methyl]-8-methylquinolin-5-amine
CID 62357068
6-chloro-8-methyl-N-(2-methylpentyl)quinolin-5-amine
CID 43674590
6-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine
CID 43672377
5,7-dichloro-N-[(2-methylphenyl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 43740914
N-[(2,3-dichlorophenyl)methyl]-8-methylquinolin-5-amine
CID 43731505
4-chloro-N-(6-chloro-8-methylquinolin-5-yl)butane-1-sulfonamide
CID 116815533

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-methyl-N-[(2-methylphenyl)methyl]quinolin-5-amine?
The IUPAC name of 6-chloro-8-methyl-N-[(2-methylphenyl)methyl]quinolin-5-amine (CID 43674610) is 6-chloro-8-methyl-N-[(2-methylphenyl)methyl]quinolin-5-amine.
What is the SMILES notation for 6-chloro-8-methyl-N-[(2-methylphenyl)methyl]quinolin-5-amine?
The canonical SMILES for 6-chloro-8-methyl-N-[(2-methylphenyl)methyl]quinolin-5-amine is Cc1ccccc1CNc1c(Cl)cc(C)c2ncccc12.
What is the InChIKey of 6-chloro-8-methyl-N-[(2-methylphenyl)methyl]quinolin-5-amine?
The InChIKey is ZUTSJFLBSWIAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2/c1-12-6-3-4-7-14(12)11-21-18-15-8-5-9-20-17(15)13(2)10-16(18)19/h3-10,21H,11H2,1-2H3.
What are the key properties of 6-chloro-8-methyl-N-[(2-methylphenyl)methyl]quinolin-5-amine?
6-chloro-8-methyl-N-[(2-methylphenyl)methyl]quinolin-5-amine has a molecular weight of 296.80 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-methyl-N-[(2-methylphenyl)methyl]quinolin-5-amine is sourced from PubChem (CID 43674610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).