2-(4-chlorophenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine

C14H13ClN2 — CID 91117667

IUPAC2-(4-chlorophenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine
SMILESClc1ccc(-c2ccc3c(n2)CCNC3)cc1
InChIInChI=1S/C14H13ClN2/c15-12-4-1-10(2-5-12)13-6-3-11-9-16-8-7-14(11)17-13/h1-6,16H,7-9H2
InChIKeyRQAKZCFXWSTLFR-UHFFFAOYSA-N
MW244.73 g/mol
LogP3.05
Rot. Bonds1

About 2-(4-chlorophenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine

2-(4-chlorophenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine (PubChem CID 91117667) has the molecular formula C14H13ClN2 and a molecular weight of 244.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine
PubChem CID91117667
Molecular FormulaC14H13ClN2
Molecular Weight244.73 g/mol
Exact Mass244.08
IUPAC Name2-(4-chlorophenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine
SMILESClc1ccc(-c2ccc3c(n2)CCNC3)cc1
InChIInChI=1S/C14H13ClN2/c15-12-4-1-10(2-5-12)13-6-3-11-9-16-8-7-14(11)17-13/h1-6,16H,7-9H2
InChIKeyRQAKZCFXWSTLFR-UHFFFAOYSA-N
XLogP3.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine?
The IUPAC name of 2-(4-chlorophenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine (CID 91117667) is 2-(4-chlorophenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine.
What is the SMILES notation for 2-(4-chlorophenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine?
The canonical SMILES for 2-(4-chlorophenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine is Clc1ccc(-c2ccc3c(n2)CCNC3)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine?
The InChIKey is RQAKZCFXWSTLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2/c15-12-4-1-10(2-5-12)13-6-3-11-9-16-8-7-14(11)17-13/h1-6,16H,7-9H2.
What are the key properties of 2-(4-chlorophenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine?
2-(4-chlorophenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine has a molecular weight of 244.73 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine is sourced from PubChem (CID 91117667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).