(4S)-4-benzyl-7-chloro-1,2,3,4-tetrahydroquinoline

C16H16ClN — CID 56590209

IUPAC(4S)-4-benzyl-7-chloro-1,2,3,4-tetrahydroquinoline
SMILESClc1ccc2c(c1)NCC[C@@H]2Cc1ccccc1
InChIInChI=1S/C16H16ClN/c17-14-6-7-15-13(8-9-18-16(15)11-14)10-12-4-2-1-3-5-12/h1-7,11,13,18H,8-10H2/t13-/m1/s1
InChIKeyJPDXWDDCOHYIAF-CYBMUJFWSA-N
MW257.76 g/mol
LogP4.48
Rot. Bonds2

About (4S)-4-benzyl-7-chloro-1,2,3,4-tetrahydroquinoline

(4S)-4-benzyl-7-chloro-1,2,3,4-tetrahydroquinoline (PubChem CID 56590209) has the molecular formula C16H16ClN and a molecular weight of 257.76 g/mol. Its IUPAC name is (4S)-4-benzyl-7-chloro-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name(4S)-4-benzyl-7-chloro-1,2,3,4-tetrahydroquinoline
PubChem CID56590209
Molecular FormulaC16H16ClN
Molecular Weight257.76 g/mol
Exact Mass257.10
IUPAC Name(4S)-4-benzyl-7-chloro-1,2,3,4-tetrahydroquinoline
SMILESClc1ccc2c(c1)NCC[C@@H]2Cc1ccccc1
InChIInChI=1S/C16H16ClN/c17-14-6-7-15-13(8-9-18-16(15)11-14)10-12-4-2-1-3-5-12/h1-7,11,13,18H,8-10H2/t13-/m1/s1
InChIKeyJPDXWDDCOHYIAF-CYBMUJFWSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4S)-4-benzyl-7-chloro-1,2,3,4-tetrahydroquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-7-chloro-1,2,3,4-tetrahydroquinoline?
The IUPAC name of (4S)-4-benzyl-7-chloro-1,2,3,4-tetrahydroquinoline (CID 56590209) is (4S)-4-benzyl-7-chloro-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for (4S)-4-benzyl-7-chloro-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for (4S)-4-benzyl-7-chloro-1,2,3,4-tetrahydroquinoline is Clc1ccc2c(c1)NCC[C@@H]2Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-7-chloro-1,2,3,4-tetrahydroquinoline?
The InChIKey is JPDXWDDCOHYIAF-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H16ClN/c17-14-6-7-15-13(8-9-18-16(15)11-14)10-12-4-2-1-3-5-12/h1-7,11,13,18H,8-10H2/t13-/m1/s1.
What are the key properties of (4S)-4-benzyl-7-chloro-1,2,3,4-tetrahydroquinoline?
(4S)-4-benzyl-7-chloro-1,2,3,4-tetrahydroquinoline has a molecular weight of 257.76 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-7-chloro-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 56590209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).