6-butoxy-1-[3-(hydroxymethyl)cyclobutyl]-3,4-dihydro-1,8-naphthyridin-2-one

C17H24N2O3 — CID 168997722

IUPAC6-butoxy-1-[3-(hydroxymethyl)cyclobutyl]-3,4-dihydro-1,8-naphthyridin-2-one
SMILESCCCCOc1cnc2c(c1)CCC(=O)N2C1CC(CO)C1
InChIInChI=1S/C17H24N2O3/c1-2-3-6-22-15-9-13-4-5-16(21)19(17(13)18-10-15)14-7-12(8-14)11-20/h9-10,12,14,20H,2-8,11H2,1H3
InChIKeyCWCQNNCIGQFWDY-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.31
Rot. Bonds6

About 6-butoxy-1-[3-(hydroxymethyl)cyclobutyl]-3,4-dihydro-1,8-naphthyridin-2-one

6-butoxy-1-[3-(hydroxymethyl)cyclobutyl]-3,4-dihydro-1,8-naphthyridin-2-one (PubChem CID 168997722) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 6-butoxy-1-[3-(hydroxymethyl)cyclobutyl]-3,4-dihydro-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-butoxy-1-[3-(hydroxymethyl)cyclobutyl]-3,4-dihydro-1,8-naphthyridin-2-one
PubChem CID168997722
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name6-butoxy-1-[3-(hydroxymethyl)cyclobutyl]-3,4-dihydro-1,8-naphthyridin-2-one
SMILESCCCCOc1cnc2c(c1)CCC(=O)N2C1CC(CO)C1
InChIInChI=1S/C17H24N2O3/c1-2-3-6-22-15-9-13-4-5-16(21)19(17(13)18-10-15)14-7-12(8-14)11-20/h9-10,12,14,20H,2-8,11H2,1H3
InChIKeyCWCQNNCIGQFWDY-UHFFFAOYSA-N
XLogP2.31
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-butoxy-1-(3-cyclopropyl-3-hydroxycyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one
CID 170121840
5-amino-1'-[2-[[8-(3-ethylcyclobutyl)-7-oxo-5,6-dihydro-1,8-naphthyridin-3-yl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168996832
3-[6-(3-methylbutoxy)-2-methylidene-3,4-dihydro-1,8-naphthyridin-1-yl]cyclobutan-1-ol
CID 170117712
6-(2-bromoethoxy)-1-(2-hydroxyethyl)-3,4-dihydro-1,8-naphthyridin-2-one
CID 168996693
6-bromo-1-(3-hydroxycyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one
CID 168997620
5-pentoxy-2,3-dihydroinden-1-one
CID 104986088
4-methyl-7-pentoxy-3,4-dihydro-1H-naphthalen-2-one
CID 158325360
6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028
1-(3-butoxypyrido[2,3-d]pyridazin-8-yl)-3-methylazetidin-3-ol
CID 168996364
1-(5-butoxypyrimidin-2-yl)ethanol
CID 170050824
1,3,5-tributoxybenzene
CID 15933337
6-(2-bromoethoxy)-1-(2-hydroxyethyl)-3,4-dihydroquinolin-2-one
CID 169030898

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-1-[3-(hydroxymethyl)cyclobutyl]-3,4-dihydro-1,8-naphthyridin-2-one?
The IUPAC name of 6-butoxy-1-[3-(hydroxymethyl)cyclobutyl]-3,4-dihydro-1,8-naphthyridin-2-one (CID 168997722) is 6-butoxy-1-[3-(hydroxymethyl)cyclobutyl]-3,4-dihydro-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-butoxy-1-[3-(hydroxymethyl)cyclobutyl]-3,4-dihydro-1,8-naphthyridin-2-one?
The canonical SMILES for 6-butoxy-1-[3-(hydroxymethyl)cyclobutyl]-3,4-dihydro-1,8-naphthyridin-2-one is CCCCOc1cnc2c(c1)CCC(=O)N2C1CC(CO)C1.
What is the InChIKey of 6-butoxy-1-[3-(hydroxymethyl)cyclobutyl]-3,4-dihydro-1,8-naphthyridin-2-one?
The InChIKey is CWCQNNCIGQFWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-2-3-6-22-15-9-13-4-5-16(21)19(17(13)18-10-15)14-7-12(8-14)11-20/h9-10,12,14,20H,2-8,11H2,1H3.
What are the key properties of 6-butoxy-1-[3-(hydroxymethyl)cyclobutyl]-3,4-dihydro-1,8-naphthyridin-2-one?
6-butoxy-1-[3-(hydroxymethyl)cyclobutyl]-3,4-dihydro-1,8-naphthyridin-2-one has a molecular weight of 304.39 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-1-[3-(hydroxymethyl)cyclobutyl]-3,4-dihydro-1,8-naphthyridin-2-one is sourced from PubChem (CID 168997722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).