6-hexan-3-yl-3,4-dihydro-1H-1,8-naphthyridin-2-one

C14H20N2O — CID 155009311

IUPAC6-hexan-3-yl-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCCCC(CC)c1cnc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H20N2O/c1-3-5-10(4-2)12-8-11-6-7-13(17)16-14(11)15-9-12/h8-10H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyJCWOMZCUHFNTMH-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.26
Rot. Bonds4

About 6-hexan-3-yl-3,4-dihydro-1H-1,8-naphthyridin-2-one

6-hexan-3-yl-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 155009311) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 6-hexan-3-yl-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-hexan-3-yl-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID155009311
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name6-hexan-3-yl-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCCCC(CC)c1cnc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H20N2O/c1-3-5-10(4-2)12-8-11-6-7-13(17)16-14(11)15-9-12/h8-10H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyJCWOMZCUHFNTMH-UHFFFAOYSA-N
XLogP3.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-hexan-3-yl-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-hexan-3-yl-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 155009311) is 6-hexan-3-yl-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-hexan-3-yl-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-hexan-3-yl-3,4-dihydro-1H-1,8-naphthyridin-2-one is CCCC(CC)c1cnc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-hexan-3-yl-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is JCWOMZCUHFNTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-5-10(4-2)12-8-11-6-7-13(17)16-14(11)15-9-12/h8-10H,3-7H2,1-2H3,(H,15,16,17).
What are the key properties of 6-hexan-3-yl-3,4-dihydro-1H-1,8-naphthyridin-2-one?
6-hexan-3-yl-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 232.33 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hexan-3-yl-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 155009311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).