1-(4-chloro-3-pyridinyl)-7-ethyl-1,2,3,4-tetrahydroisoquinoline

C16H17ClN2 — CID 83359935

IUPAC1-(4-chloro-3-pyridinyl)-7-ethyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCc1ccc2c(c1)C(c1cnccc1Cl)NCC2
InChIInChI=1S/C16H17ClN2/c1-2-11-3-4-12-5-8-19-16(13(12)9-11)14-10-18-7-6-15(14)17/h3-4,6-7,9-10,16,19H,2,5,8H2,1H3
InChIKeyNFHHTUQNIIMYLM-UHFFFAOYSA-N
MW272.78 g/mol
LogP3.53
Rot. Bonds2

About 1-(4-chloro-3-pyridinyl)-7-ethyl-1,2,3,4-tetrahydroisoquinoline

1-(4-chloro-3-pyridinyl)-7-ethyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 83359935) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 1-(4-chloro-3-pyridinyl)-7-ethyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-(4-chloro-3-pyridinyl)-7-ethyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID83359935
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC Name1-(4-chloro-3-pyridinyl)-7-ethyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCc1ccc2c(c1)C(c1cnccc1Cl)NCC2
InChIInChI=1S/C16H17ClN2/c1-2-11-3-4-12-5-8-19-16(13(12)9-11)14-10-18-7-6-15(14)17/h3-4,6-7,9-10,16,19H,2,5,8H2,1H3
InChIKeyNFHHTUQNIIMYLM-UHFFFAOYSA-N
XLogP3.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-chloro-3-pyridinyl)-7-ethyl-1,2,3,4-tetrahydroisoquinoline 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 1-(4-chloro-3-pyridinyl)-7-ethyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-(4-chloro-3-pyridinyl)-7-ethyl-1,2,3,4-tetrahydroisoquinoline (CID 83359935) is 1-(4-chloro-3-pyridinyl)-7-ethyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-(4-chloro-3-pyridinyl)-7-ethyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-(4-chloro-3-pyridinyl)-7-ethyl-1,2,3,4-tetrahydroisoquinoline is CCc1ccc2c(c1)C(c1cnccc1Cl)NCC2.
What is the InChIKey of 1-(4-chloro-3-pyridinyl)-7-ethyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is NFHHTUQNIIMYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2/c1-2-11-3-4-12-5-8-19-16(13(12)9-11)14-10-18-7-6-15(14)17/h3-4,6-7,9-10,16,19H,2,5,8H2,1H3.
What are the key properties of 1-(4-chloro-3-pyridinyl)-7-ethyl-1,2,3,4-tetrahydroisoquinoline?
1-(4-chloro-3-pyridinyl)-7-ethyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 272.78 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-pyridinyl)-7-ethyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 83359935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).