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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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).