7-(5-pyrrolidin-3-ylpentyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;hydrochloride

C17H28ClN3 — CID 146423102

IUPAC7-(5-pyrrolidin-3-ylpentyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;hydrochloride
SMILESCl.c1cc2c(nc1CCCCCC1CCNC1)NCCC2
InChIInChI=1S/C17H27N3.ClH/c1(2-5-14-10-12-18-13-14)3-7-16-9-8-15-6-4-11-19-17(15)20-16;/h8-9,14,18H,1-7,10-13H2,(H,19,20);1H
InChIKeyWOWFMNCJCSXFOV-UHFFFAOYSA-N
MW309.88 g/mol
LogP3.57
Rot. Bonds6

About 7-(5-pyrrolidin-3-ylpentyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;hydrochloride

7-(5-pyrrolidin-3-ylpentyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;hydrochloride (PubChem CID 146423102) has the molecular formula C17H28ClN3 and a molecular weight of 309.88 g/mol. Its IUPAC name is 7-(5-pyrrolidin-3-ylpentyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;hydrochloride.

Molecular Properties

Compound Name7-(5-pyrrolidin-3-ylpentyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;hydrochloride
PubChem CID146423102
Molecular FormulaC17H28ClN3
Molecular Weight309.88 g/mol
Exact Mass309.20
IUPAC Name7-(5-pyrrolidin-3-ylpentyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;hydrochloride
SMILESCl.c1cc2c(nc1CCCCCC1CCNC1)NCCC2
InChIInChI=1S/C17H27N3.ClH/c1(2-5-14-10-12-18-13-14)3-7-16-9-8-15-6-4-11-19-17(15)20-16;/h8-9,14,18H,1-7,10-13H2,(H,19,20);1H
InChIKeyWOWFMNCJCSXFOV-UHFFFAOYSA-N
XLogP3.57
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[6-(azetidin-3-yl)hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;ethane
CID 177029160
7-(4-pyrrolidin-3-yloxybutyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;dihydrochloride
CID 146417599
7-[4-[(3R)-pyrrolidin-3-yl]oxybutyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;dihydrochloride
CID 146417597
7-[3-(pyrrolidin-3-ylmethoxy)propyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 146423040
7-[5-[(3S)-pyrrolidin-3-yl]hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 170052630
2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanamine;dihydrochloride
CID 22678213
N-ethyl-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-amine
CID 154031401
4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid;trihydrochloride
CID 169448886
2-(2,4-dicyclopropylpyrimidin-5-yl)-2-[(3R)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]acetic acid
CID 146417205
2-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)ethanol
CID 21054357
7-[4-[(1R)-2,2-dimethylcyclopentyl]oxybutyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 176954656
4-[cyclopropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoic acid
CID 139467801

Frequently Asked Questions

What is the IUPAC name of 7-(5-pyrrolidin-3-ylpentyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;hydrochloride?
The IUPAC name of 7-(5-pyrrolidin-3-ylpentyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;hydrochloride (CID 146423102) is 7-(5-pyrrolidin-3-ylpentyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;hydrochloride.
What is the SMILES notation for 7-(5-pyrrolidin-3-ylpentyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;hydrochloride?
The canonical SMILES for 7-(5-pyrrolidin-3-ylpentyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;hydrochloride is Cl.c1cc2c(nc1CCCCCC1CCNC1)NCCC2.
What is the InChIKey of 7-(5-pyrrolidin-3-ylpentyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;hydrochloride?
The InChIKey is WOWFMNCJCSXFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3.ClH/c1(2-5-14-10-12-18-13-14)3-7-16-9-8-15-6-4-11-19-17(15)20-16;/h8-9,14,18H,1-7,10-13H2,(H,19,20);1H.
What are the key properties of 7-(5-pyrrolidin-3-ylpentyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;hydrochloride?
7-(5-pyrrolidin-3-ylpentyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;hydrochloride has a molecular weight of 309.88 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-pyrrolidin-3-ylpentyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;hydrochloride is sourced from PubChem (CID 146423102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).