7-chloro-4-methyl-N-(2-phenylethyl)quinolin-2-amine

C18H17ClN2 — CID 871628

IUPAC7-chloro-4-methyl-N-(2-phenylethyl)quinolin-2-amine
SMILESCc1cc(NCCc2ccccc2)nc2cc(Cl)ccc12
InChIInChI=1S/C18H17ClN2/c1-13-11-18(20-10-9-14-5-3-2-4-6-14)21-17-12-15(19)7-8-16(13)17/h2-8,11-12H,9-10H2,1H3,(H,20,21)
InChIKeyILNSUNPYTLGEMW-UHFFFAOYSA-N
MW296.80 g/mol
LogP4.85
Rot. Bonds4

About 7-chloro-4-methyl-N-(2-phenylethyl)quinolin-2-amine

7-chloro-4-methyl-N-(2-phenylethyl)quinolin-2-amine (PubChem CID 871628) has the molecular formula C18H17ClN2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 7-chloro-4-methyl-N-(2-phenylethyl)quinolin-2-amine.

Molecular Properties

Compound Name7-chloro-4-methyl-N-(2-phenylethyl)quinolin-2-amine
PubChem CID871628
Molecular FormulaC18H17ClN2
Molecular Weight296.80 g/mol
Exact Mass296.11
IUPAC Name7-chloro-4-methyl-N-(2-phenylethyl)quinolin-2-amine
SMILESCc1cc(NCCc2ccccc2)nc2cc(Cl)ccc12
InChIInChI=1S/C18H17ClN2/c1-13-11-18(20-10-9-14-5-3-2-4-6-14)21-17-12-15(19)7-8-16(13)17/h2-8,11-12H,9-10H2,1H3,(H,20,21)
InChIKeyILNSUNPYTLGEMW-UHFFFAOYSA-N
XLogP4.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-benzyl-6-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112871519
2-N-(4-chlorophenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920094
6-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine
CID 80777642
N-(1,3-benzodioxol-5-ylmethyl)-7-chloro-4-methylquinolin-2-amine
CID 23931420
N-[2-(3-chlorophenyl)ethyl]-8-methoxy-4-methylquinolin-2-amine
CID 872108
3-N-(5-chloro-2-methylphenyl)-5-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112952862
4-N-(5-chloro-2-methylphenyl)-6-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920229
6-chloro-4-N-methyl-2-N-(2-phenylethyl)quinazoline-2,4-diamine
CID 138683091
5-N-(5-chloro-2-methylphenyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112953015
6-chloro-2-methylsulfanyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 71671580
4-benzylsulfanyl-7-chloro-N-methylquinolin-2-amine
CID 170733626
2-N-(3-chloro-4-fluorophenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920099

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methyl-N-(2-phenylethyl)quinolin-2-amine?
The IUPAC name of 7-chloro-4-methyl-N-(2-phenylethyl)quinolin-2-amine (CID 871628) is 7-chloro-4-methyl-N-(2-phenylethyl)quinolin-2-amine.
What is the SMILES notation for 7-chloro-4-methyl-N-(2-phenylethyl)quinolin-2-amine?
The canonical SMILES for 7-chloro-4-methyl-N-(2-phenylethyl)quinolin-2-amine is Cc1cc(NCCc2ccccc2)nc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-4-methyl-N-(2-phenylethyl)quinolin-2-amine?
The InChIKey is ILNSUNPYTLGEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2/c1-13-11-18(20-10-9-14-5-3-2-4-6-14)21-17-12-15(19)7-8-16(13)17/h2-8,11-12H,9-10H2,1H3,(H,20,21).
What are the key properties of 7-chloro-4-methyl-N-(2-phenylethyl)quinolin-2-amine?
7-chloro-4-methyl-N-(2-phenylethyl)quinolin-2-amine has a molecular weight of 296.80 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-methyl-N-(2-phenylethyl)quinolin-2-amine is sourced from PubChem (CID 871628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).