2-(4-chlorophenyl)-4,8-dimethyl-1,2,3,4-tetrahydroquinoline

C17H18ClN — CID 3754585

IUPAC2-(4-chlorophenyl)-4,8-dimethyl-1,2,3,4-tetrahydroquinoline
SMILESCc1cccc2c1NC(c1ccc(Cl)cc1)CC2C
InChIInChI=1S/C17H18ClN/c1-11-4-3-5-15-12(2)10-16(19-17(11)15)13-6-8-14(18)9-7-13/h3-9,12,16,19H,10H2,1-2H3
InChIKeyQHOSFXPJZQQGHV-UHFFFAOYSA-N
MW271.79 g/mol
LogP5.31
Rot. Bonds1

About 2-(4-chlorophenyl)-4,8-dimethyl-1,2,3,4-tetrahydroquinoline

2-(4-chlorophenyl)-4,8-dimethyl-1,2,3,4-tetrahydroquinoline (PubChem CID 3754585) has the molecular formula C17H18ClN and a molecular weight of 271.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4,8-dimethyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4,8-dimethyl-1,2,3,4-tetrahydroquinoline
PubChem CID3754585
Molecular FormulaC17H18ClN
Molecular Weight271.79 g/mol
Exact Mass271.11
IUPAC Name2-(4-chlorophenyl)-4,8-dimethyl-1,2,3,4-tetrahydroquinoline
SMILESCc1cccc2c1NC(c1ccc(Cl)cc1)CC2C
InChIInChI=1S/C17H18ClN/c1-11-4-3-5-15-12(2)10-16(19-17(11)15)13-6-8-14(18)9-7-13/h3-9,12,16,19H,10H2,1-2H3
InChIKeyQHOSFXPJZQQGHV-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.79
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4,8-dimethyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-(4-chlorophenyl)-4,8-dimethyl-1,2,3,4-tetrahydroquinoline (CID 3754585) is 2-(4-chlorophenyl)-4,8-dimethyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-(4-chlorophenyl)-4,8-dimethyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-(4-chlorophenyl)-4,8-dimethyl-1,2,3,4-tetrahydroquinoline is Cc1cccc2c1NC(c1ccc(Cl)cc1)CC2C.
What is the InChIKey of 2-(4-chlorophenyl)-4,8-dimethyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is QHOSFXPJZQQGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN/c1-11-4-3-5-15-12(2)10-16(19-17(11)15)13-6-8-14(18)9-7-13/h3-9,12,16,19H,10H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-4,8-dimethyl-1,2,3,4-tetrahydroquinoline?
2-(4-chlorophenyl)-4,8-dimethyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 271.79 g/mol, XLogP of 5.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4,8-dimethyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 3754585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).