7-[4-[(1R)-2,2-dimethylcyclopentyl]oxybutyl]-1,2,3,4-tetrahydro-1,8-naphthyridine

C19H30N2O — CID 176954656

IUPAC7-[4-[(1R)-2,2-dimethylcyclopentyl]oxybutyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCC1(C)CCC[C@H]1OCCCCc1ccc2c(n1)NCCC2
InChIInChI=1S/C19H30N2O/c1-19(2)12-5-9-17(19)22-14-4-3-8-16-11-10-15-7-6-13-20-18(15)21-16/h10-11,17H,3-9,12-14H2,1-2H3,(H,20,21)/t17-/m1/s1
InChIKeyQLSVXGICZGHLSV-QGZVFWFLSA-N
MW302.46 g/mol
LogP4.36
Rot. Bonds6

About 7-[4-[(1R)-2,2-dimethylcyclopentyl]oxybutyl]-1,2,3,4-tetrahydro-1,8-naphthyridine

7-[4-[(1R)-2,2-dimethylcyclopentyl]oxybutyl]-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 176954656) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 7-[4-[(1R)-2,2-dimethylcyclopentyl]oxybutyl]-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Name7-[4-[(1R)-2,2-dimethylcyclopentyl]oxybutyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
PubChem CID176954656
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name7-[4-[(1R)-2,2-dimethylcyclopentyl]oxybutyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCC1(C)CCC[C@H]1OCCCCc1ccc2c(n1)NCCC2
InChIInChI=1S/C19H30N2O/c1-19(2)12-5-9-17(19)22-14-4-3-8-16-11-10-15-7-6-13-20-18(15)21-16/h10-11,17H,3-9,12-14H2,1-2H3,(H,20,21)/t17-/m1/s1
InChIKeyQLSVXGICZGHLSV-QGZVFWFLSA-N
XLogP4.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentoxy]pyrrolidine-1-carboxylic acid
CID 172704218
7-[6-(azetidin-3-yl)hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;ethane
CID 177029160
1-phenyl-1-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]piperidin-1-yl]propan-2-one
CID 159930468
7-[3-(pyrrolidin-3-ylmethoxy)propyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 146423040
[1-carboxy-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]propyl]azanide;yttrium
CID 171833196
N-ethyl-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-amine
CID 154031401
3-amino-5-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pent-1-en-2-ol
CID 171832938
(2S)-2-[[3,3-dimethyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]cyclopentyl]-methylamino]-2-[(4S)-4-methyl-3,4-dihydro-2H-chromen-5-yl]acetic acid
CID 176954738
2-[[3,3-dimethyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]cyclopentyl]-methylamino]-2-[(4S)-4-methyl-3,4-dihydro-2H-chromen-5-yl]acetic acid
CID 176954650
2-[5-fluoro-2-(1-methylcyclopentyl)phenyl]-2-[3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentoxy]azetidin-1-yl]acetic acid
CID 177029092

Frequently Asked Questions

What is the IUPAC name of 7-[4-[(1R)-2,2-dimethylcyclopentyl]oxybutyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The IUPAC name of 7-[4-[(1R)-2,2-dimethylcyclopentyl]oxybutyl]-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 176954656) is 7-[4-[(1R)-2,2-dimethylcyclopentyl]oxybutyl]-1,2,3,4-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for 7-[4-[(1R)-2,2-dimethylcyclopentyl]oxybutyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The canonical SMILES for 7-[4-[(1R)-2,2-dimethylcyclopentyl]oxybutyl]-1,2,3,4-tetrahydro-1,8-naphthyridine is CC1(C)CCC[C@H]1OCCCCc1ccc2c(n1)NCCC2.
What is the InChIKey of 7-[4-[(1R)-2,2-dimethylcyclopentyl]oxybutyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The InChIKey is QLSVXGICZGHLSV-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H30N2O/c1-19(2)12-5-9-17(19)22-14-4-3-8-16-11-10-15-7-6-13-20-18(15)21-16/h10-11,17H,3-9,12-14H2,1-2H3,(H,20,21)/t17-/m1/s1.
What are the key properties of 7-[4-[(1R)-2,2-dimethylcyclopentyl]oxybutyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
7-[4-[(1R)-2,2-dimethylcyclopentyl]oxybutyl]-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 302.46 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[(1R)-2,2-dimethylcyclopentyl]oxybutyl]-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 176954656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).