6-(oxetan-3-ylmethyl)-2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine

C15H22N2O — CID 134555282

IUPAC6-(oxetan-3-ylmethyl)-2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine
SMILESCC(C)c1ccc2c(n1)CCN(CC1COC1)C2
InChIInChI=1S/C15H22N2O/c1-11(2)14-4-3-13-8-17(6-5-15(13)16-14)7-12-9-18-10-12/h3-4,11-12H,5-10H2,1-2H3
InChIKeyKXBTYFPKIANFHD-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.21
Rot. Bonds3

About 6-(oxetan-3-ylmethyl)-2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine

6-(oxetan-3-ylmethyl)-2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 134555282) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 6-(oxetan-3-ylmethyl)-2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name6-(oxetan-3-ylmethyl)-2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID134555282
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name6-(oxetan-3-ylmethyl)-2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine
SMILESCC(C)c1ccc2c(n1)CCN(CC1COC1)C2
InChIInChI=1S/C15H22N2O/c1-11(2)14-4-3-13-8-17(6-5-15(13)16-14)7-12-9-18-10-12/h3-4,11-12H,5-10H2,1-2H3
InChIKeyKXBTYFPKIANFHD-UHFFFAOYSA-N
XLogP2.21
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(oxetan-3-ylmethyl)-2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 6-(oxetan-3-ylmethyl)-2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine (CID 134555282) is 6-(oxetan-3-ylmethyl)-2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 6-(oxetan-3-ylmethyl)-2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 6-(oxetan-3-ylmethyl)-2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine is CC(C)c1ccc2c(n1)CCN(CC1COC1)C2.
What is the InChIKey of 6-(oxetan-3-ylmethyl)-2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is KXBTYFPKIANFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(2)14-4-3-13-8-17(6-5-15(13)16-14)7-12-9-18-10-12/h3-4,11-12H,5-10H2,1-2H3.
What are the key properties of 6-(oxetan-3-ylmethyl)-2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine?
6-(oxetan-3-ylmethyl)-2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 246.35 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxetan-3-ylmethyl)-2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 134555282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).