2-(oxolan-3-yl)-5-(2-pyrrolidin-1-ylethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine

C19H29N3O2 — CID 131657984

IUPAC2-(oxolan-3-yl)-5-(2-pyrrolidin-1-ylethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine
SMILESc1ncc2c(c1COCCN1CCCC1)CCN(C1CCOC1)C2
InChIInChI=1S/C19H29N3O2/c1-2-6-21(5-1)8-10-24-14-17-12-20-11-16-13-22(7-3-19(16)17)18-4-9-23-15-18/h11-12,18H,1-10,13-15H2
InChIKeyXRQPFDRAMBNFNF-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.84
Rot. Bonds6

About 2-(oxolan-3-yl)-5-(2-pyrrolidin-1-ylethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine

2-(oxolan-3-yl)-5-(2-pyrrolidin-1-ylethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine (PubChem CID 131657984) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-5-(2-pyrrolidin-1-ylethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine.

Molecular Properties

Compound Name2-(oxolan-3-yl)-5-(2-pyrrolidin-1-ylethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine
PubChem CID131657984
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-(oxolan-3-yl)-5-(2-pyrrolidin-1-ylethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine
SMILESc1ncc2c(c1COCCN1CCCC1)CCN(C1CCOC1)C2
InChIInChI=1S/C19H29N3O2/c1-2-6-21(5-1)8-10-24-14-17-12-20-11-16-13-22(7-3-19(16)17)18-4-9-23-15-18/h11-12,18H,1-10,13-15H2
InChIKeyXRQPFDRAMBNFNF-UHFFFAOYSA-N
XLogP1.84
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-(oxolan-3-yl)-5-(2-pyrrolidin-1-ylethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine?
The IUPAC name of 2-(oxolan-3-yl)-5-(2-pyrrolidin-1-ylethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine (CID 131657984) is 2-(oxolan-3-yl)-5-(2-pyrrolidin-1-ylethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine.
What is the SMILES notation for 2-(oxolan-3-yl)-5-(2-pyrrolidin-1-ylethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine?
The canonical SMILES for 2-(oxolan-3-yl)-5-(2-pyrrolidin-1-ylethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine is c1ncc2c(c1COCCN1CCCC1)CCN(C1CCOC1)C2.
What is the InChIKey of 2-(oxolan-3-yl)-5-(2-pyrrolidin-1-ylethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine?
The InChIKey is XRQPFDRAMBNFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-2-6-21(5-1)8-10-24-14-17-12-20-11-16-13-22(7-3-19(16)17)18-4-9-23-15-18/h11-12,18H,1-10,13-15H2.
What are the key properties of 2-(oxolan-3-yl)-5-(2-pyrrolidin-1-ylethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine?
2-(oxolan-3-yl)-5-(2-pyrrolidin-1-ylethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine has a molecular weight of 331.46 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-5-(2-pyrrolidin-1-ylethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine is sourced from PubChem (CID 131657984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).