7-[2-(4-chlorophenyl)ethyl]-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine

C19H18ClN3 — CID 24731639

IUPAC7-[2-(4-chlorophenyl)ethyl]-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine
SMILESClc1ccc(CCN2CCc3nc4ncccc4cc3C2)cc1
InChIInChI=1S/C19H18ClN3/c20-17-5-3-14(4-6-17)7-10-23-11-8-18-16(13-23)12-15-2-1-9-21-19(15)22-18/h1-6,9,12H,7-8,10-11,13H2
InChIKeyBTNHZFSTPNSNFJ-UHFFFAOYSA-N
MW323.83 g/mol
LogP3.88
Rot. Bonds3

About 7-[2-(4-chlorophenyl)ethyl]-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine

7-[2-(4-chlorophenyl)ethyl]-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine (PubChem CID 24731639) has the molecular formula C19H18ClN3 and a molecular weight of 323.83 g/mol. Its IUPAC name is 7-[2-(4-chlorophenyl)ethyl]-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine.

Molecular Properties

Compound Name7-[2-(4-chlorophenyl)ethyl]-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine
PubChem CID24731639
Molecular FormulaC19H18ClN3
Molecular Weight323.83 g/mol
Exact Mass323.12
IUPAC Name7-[2-(4-chlorophenyl)ethyl]-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine
SMILESClc1ccc(CCN2CCc3nc4ncccc4cc3C2)cc1
InChIInChI=1S/C19H18ClN3/c20-17-5-3-14(4-6-17)7-10-23-11-8-18-16(13-23)12-15-2-1-9-21-19(15)22-18/h1-6,9,12H,7-8,10-11,13H2
InChIKeyBTNHZFSTPNSNFJ-UHFFFAOYSA-N
XLogP3.88
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.83
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-chlorophenyl)ethyl]-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine?
The IUPAC name of 7-[2-(4-chlorophenyl)ethyl]-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine (CID 24731639) is 7-[2-(4-chlorophenyl)ethyl]-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine.
What is the SMILES notation for 7-[2-(4-chlorophenyl)ethyl]-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine?
The canonical SMILES for 7-[2-(4-chlorophenyl)ethyl]-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine is Clc1ccc(CCN2CCc3nc4ncccc4cc3C2)cc1.
What is the InChIKey of 7-[2-(4-chlorophenyl)ethyl]-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine?
The InChIKey is BTNHZFSTPNSNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3/c20-17-5-3-14(4-6-17)7-10-23-11-8-18-16(13-23)12-15-2-1-9-21-19(15)22-18/h1-6,9,12H,7-8,10-11,13H2.
What are the key properties of 7-[2-(4-chlorophenyl)ethyl]-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine?
7-[2-(4-chlorophenyl)ethyl]-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine has a molecular weight of 323.83 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-chlorophenyl)ethyl]-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine is sourced from PubChem (CID 24731639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).