7-(4-pyrrolidin-3-yloxybutyl)-1,2,3,4-tetrahydro-1,8-naphthyridine

C16H25N3O — CID 135312273

IUPAC7-(4-pyrrolidin-3-yloxybutyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESc1cc2c(nc1CCCCOC1CCNC1)NCCC2
InChIInChI=1S/C16H25N3O/c1(2-11-20-15-8-10-17-12-15)5-14-7-6-13-4-3-9-18-16(13)19-14/h6-7,15,17H,1-5,8-12H2,(H,18,19)
InChIKeyOHBLRCHIFDZQBV-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.14
Rot. Bonds6

About 7-(4-pyrrolidin-3-yloxybutyl)-1,2,3,4-tetrahydro-1,8-naphthyridine

7-(4-pyrrolidin-3-yloxybutyl)-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 135312273) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 7-(4-pyrrolidin-3-yloxybutyl)-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Name7-(4-pyrrolidin-3-yloxybutyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
PubChem CID135312273
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name7-(4-pyrrolidin-3-yloxybutyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESc1cc2c(nc1CCCCOC1CCNC1)NCCC2
InChIInChI=1S/C16H25N3O/c1(2-11-20-15-8-10-17-12-15)5-14-7-6-13-4-3-9-18-16(13)19-14/h6-7,15,17H,1-5,8-12H2,(H,18,19)
InChIKeyOHBLRCHIFDZQBV-UHFFFAOYSA-N
XLogP2.14
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(4-pyrrolidin-3-yloxybutyl)-1,2,3,4-tetrahydro-1,8-naphthyridine?
The IUPAC name of 7-(4-pyrrolidin-3-yloxybutyl)-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 135312273) is 7-(4-pyrrolidin-3-yloxybutyl)-1,2,3,4-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for 7-(4-pyrrolidin-3-yloxybutyl)-1,2,3,4-tetrahydro-1,8-naphthyridine?
The canonical SMILES for 7-(4-pyrrolidin-3-yloxybutyl)-1,2,3,4-tetrahydro-1,8-naphthyridine is c1cc2c(nc1CCCCOC1CCNC1)NCCC2.
What is the InChIKey of 7-(4-pyrrolidin-3-yloxybutyl)-1,2,3,4-tetrahydro-1,8-naphthyridine?
The InChIKey is OHBLRCHIFDZQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1(2-11-20-15-8-10-17-12-15)5-14-7-6-13-4-3-9-18-16(13)19-14/h6-7,15,17H,1-5,8-12H2,(H,18,19).
What are the key properties of 7-(4-pyrrolidin-3-yloxybutyl)-1,2,3,4-tetrahydro-1,8-naphthyridine?
7-(4-pyrrolidin-3-yloxybutyl)-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 275.40 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-pyrrolidin-3-yloxybutyl)-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 135312273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).