7-(4-hydroxybutoxy)-3,4-dihydro-1H-1,6-naphthyridin-2-one

C12H16N2O3 — CID 21073845

IUPAC7-(4-hydroxybutoxy)-3,4-dihydro-1H-1,6-naphthyridin-2-one
SMILESO=C1CCc2cnc(OCCCCO)cc2N1
InChIInChI=1S/C12H16N2O3/c15-5-1-2-6-17-12-7-10-9(8-13-12)3-4-11(16)14-10/h7-8,15H,1-6H2,(H,14,16)
InChIKeyHKLBZPCWEKDCGP-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.12
Rot. Bonds5

About 7-(4-hydroxybutoxy)-3,4-dihydro-1H-1,6-naphthyridin-2-one

7-(4-hydroxybutoxy)-3,4-dihydro-1H-1,6-naphthyridin-2-one (PubChem CID 21073845) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 7-(4-hydroxybutoxy)-3,4-dihydro-1H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-(4-hydroxybutoxy)-3,4-dihydro-1H-1,6-naphthyridin-2-one
PubChem CID21073845
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name7-(4-hydroxybutoxy)-3,4-dihydro-1H-1,6-naphthyridin-2-one
SMILESO=C1CCc2cnc(OCCCCO)cc2N1
InChIInChI=1S/C12H16N2O3/c15-5-1-2-6-17-12-7-10-9(8-13-12)3-4-11(16)14-10/h7-8,15H,1-6H2,(H,14,16)
InChIKeyHKLBZPCWEKDCGP-UHFFFAOYSA-N
XLogP1.12
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.12
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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Related Compounds

7-[4-[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,6-naphthyridin-2-one
CID 21073559
7-(4-hydroxybutyl)-3,4-dihydro-1H-quinolin-2-one
CID 129209031
7-(4-methoxybutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940015
6-amino-7-heptoxy-3,4-dihydro-1H-quinolin-2-one
CID 43455700
6-[(4-hydroxybutylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115217584
6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028
8-(3-hydroxypropoxy)-6-(methylamino)-3,4-dihydro-1H-quinolin-2-one
CID 59150166
6-[2-(4-hydroxybutylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 115217775
4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanal
CID 56851120
4-(3-hydroxypropoxy)-1H-pyrimidin-6-one
CID 103240812
3,4-dihydro-1H-1,6-naphthyridin-2-one
CID 18952402
2,3-dichloro-8,9-dihydro-6H-pyrido[2,3-g]quinoxalin-7-one
CID 114966826

Frequently Asked Questions

What is the IUPAC name of 7-(4-hydroxybutoxy)-3,4-dihydro-1H-1,6-naphthyridin-2-one?
The IUPAC name of 7-(4-hydroxybutoxy)-3,4-dihydro-1H-1,6-naphthyridin-2-one (CID 21073845) is 7-(4-hydroxybutoxy)-3,4-dihydro-1H-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-(4-hydroxybutoxy)-3,4-dihydro-1H-1,6-naphthyridin-2-one?
The canonical SMILES for 7-(4-hydroxybutoxy)-3,4-dihydro-1H-1,6-naphthyridin-2-one is O=C1CCc2cnc(OCCCCO)cc2N1.
What is the InChIKey of 7-(4-hydroxybutoxy)-3,4-dihydro-1H-1,6-naphthyridin-2-one?
The InChIKey is HKLBZPCWEKDCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-5-1-2-6-17-12-7-10-9(8-13-12)3-4-11(16)14-10/h7-8,15H,1-6H2,(H,14,16).
What are the key properties of 7-(4-hydroxybutoxy)-3,4-dihydro-1H-1,6-naphthyridin-2-one?
7-(4-hydroxybutoxy)-3,4-dihydro-1H-1,6-naphthyridin-2-one has a molecular weight of 236.27 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-hydroxybutoxy)-3,4-dihydro-1H-1,6-naphthyridin-2-one is sourced from PubChem (CID 21073845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).