2-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylquinoline

C18H16ClN — CID 134960971

IUPAC2-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylquinoline
SMILESCc1cc([C@@H](C)c2cccc(Cl)c2)nc2ccccc12
InChIInChI=1S/C18H16ClN/c1-12-10-18(20-17-9-4-3-8-16(12)17)13(2)14-6-5-7-15(19)11-14/h3-11,13H,1-2H3/t13-/m0/s1
InChIKeyCVCWRSGINUZYIW-ZDUSSCGKSA-N
MW281.79 g/mol
LogP5.35
Rot. Bonds2

About 2-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylquinoline

2-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylquinoline (PubChem CID 134960971) has the molecular formula C18H16ClN and a molecular weight of 281.79 g/mol. Its IUPAC name is 2-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylquinoline.

Molecular Properties

Compound Name2-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylquinoline
PubChem CID134960971
Molecular FormulaC18H16ClN
Molecular Weight281.79 g/mol
Exact Mass281.10
IUPAC Name2-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylquinoline
SMILESCc1cc([C@@H](C)c2cccc(Cl)c2)nc2ccccc12
InChIInChI=1S/C18H16ClN/c1-12-10-18(20-17-9-4-3-8-16(12)17)13(2)14-6-5-7-15(19)11-14/h3-11,13H,1-2H3/t13-/m0/s1
InChIKeyCVCWRSGINUZYIW-ZDUSSCGKSA-N
XLogP5.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.79
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylquinoline 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

(4-chlorophenyl)-(4-methylquinolin-2-yl)methanamine
CID 114754979
N-ethyl-1-(4-methylquinolin-2-yl)ethanamine
CID 114755257
(3,4-difluorophenyl)-(4-methylquinolin-2-yl)methanol
CID 114754840
N-[1-(3-chlorophenyl)ethyl]-2,1-benzothiazol-3-amine
CID 63372965
[(2-chlorophenyl)-(4-methylquinolin-2-yl)methyl]hydrazine
CID 105279631
N-[1-(4-methylquinolin-2-yl)ethyl]acetamide
CID 175073880
(4-methoxyphenyl)-(4-methylquinolin-2-yl)methanol
CID 114754870
1-(4-methylquinolin-2-yl)-2-propan-2-yloxyethanol
CID 114754836
(1R)-1-(4-methylquinolin-2-yl)butan-1-ol
CID 104969389
(3-chlorophenyl)-quinolin-2-ylmethanamine
CID 63222803
2-[(1R)-1-[[(1R)-1-(3-chlorophenyl)ethyl]amino]ethyl]-3H-quinazolin-4-one
CID 135809073
[2,2-dimethyl-1-(4-methylquinolin-2-yl)propyl]hydrazine
CID 105279714

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylquinoline?
The IUPAC name of 2-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylquinoline (CID 134960971) is 2-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylquinoline.
What is the SMILES notation for 2-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylquinoline?
The canonical SMILES for 2-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylquinoline is Cc1cc([C@@H](C)c2cccc(Cl)c2)nc2ccccc12.
What is the InChIKey of 2-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylquinoline?
The InChIKey is CVCWRSGINUZYIW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H16ClN/c1-12-10-18(20-17-9-4-3-8-16(12)17)13(2)14-6-5-7-15(19)11-14/h3-11,13H,1-2H3/t13-/m0/s1.
What are the key properties of 2-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylquinoline?
2-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylquinoline has a molecular weight of 281.79 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylquinoline is sourced from PubChem (CID 134960971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).