9-chloro-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine

C12H11ClN2 — CID 156705016

IUPAC9-chloro-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine
SMILESClC1CCCc2cc3cccnc3nc21
InChIInChI=1S/C12H11ClN2/c13-10-5-1-3-8-7-9-4-2-6-14-12(9)15-11(8)10/h2,4,6-7,10H,1,3,5H2
InChIKeyUUKZYSGQXQUABA-UHFFFAOYSA-N
MW218.69 g/mol
LogP3.25
Rot. Bonds

About 9-chloro-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine

9-chloro-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine (PubChem CID 156705016) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is 9-chloro-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine.

Molecular Properties

Compound Name9-chloro-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine
PubChem CID156705016
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name9-chloro-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine
SMILESClC1CCCc2cc3cccnc3nc21
InChIInChI=1S/C12H11ClN2/c13-10-5-1-3-8-7-9-4-2-6-14-12(9)15-11(8)10/h2,4,6-7,10H,1,3,5H2
InChIKeyUUKZYSGQXQUABA-UHFFFAOYSA-N
XLogP3.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(8S)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 164583093
(8R)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 162400504
(8S)-5,6,7,8-tetrahydroquinolin-8-ol
CID 11480532
(8S)-5,6,7,8-tetrahydroquinolin-8-amine
CID 12031071
8-(3-chloro-1-methylcyclopentyl)-5,6,7,8-tetrahydroquinoline
CID 116540409
2,3-dihydro-1H-pyrrolo[3,2-b][1,8]naphthyridine
CID 155973962
1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79739208
trimethyl(5,6,7,8-tetrahydroquinolin-8-yl)silane
CID 130535889
8-azido-5,6,7,8-tetrahydroquinoline
CID 22708769
5,6,7,8-tetrahydroquinolin-8-yl-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 105007390
(2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79746265
N-fluoro-5,6,7,8-tetrahydroquinolin-8-amine
CID 145471491

Frequently Asked Questions

What is the IUPAC name of 9-chloro-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine?
The IUPAC name of 9-chloro-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine (CID 156705016) is 9-chloro-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine.
What is the SMILES notation for 9-chloro-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine?
The canonical SMILES for 9-chloro-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine is ClC1CCCc2cc3cccnc3nc21.
What is the InChIKey of 9-chloro-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine?
The InChIKey is UUKZYSGQXQUABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2/c13-10-5-1-3-8-7-9-4-2-6-14-12(9)15-11(8)10/h2,4,6-7,10H,1,3,5H2.
What are the key properties of 9-chloro-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine?
9-chloro-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine has a molecular weight of 218.69 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine is sourced from PubChem (CID 156705016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).