6-butoxy-1-(3-cyclopropyl-3-hydroxycyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one

C19H26N2O3 — CID 170121840

IUPAC6-butoxy-1-(3-cyclopropyl-3-hydroxycyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one
SMILESCCCCOc1cnc2c(c1)CCC(=O)N2C1CC(O)(C2CC2)C1
InChIInChI=1S/C19H26N2O3/c1-2-3-8-24-16-9-13-4-7-17(22)21(18(13)20-12-16)15-10-19(23,11-15)14-5-6-14/h9,12,14-15,23H,2-8,10-11H2,1H3
InChIKeySBXJNXRAAXIASD-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.84
Rot. Bonds6

About 6-butoxy-1-(3-cyclopropyl-3-hydroxycyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one

6-butoxy-1-(3-cyclopropyl-3-hydroxycyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one (PubChem CID 170121840) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 6-butoxy-1-(3-cyclopropyl-3-hydroxycyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-butoxy-1-(3-cyclopropyl-3-hydroxycyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one
PubChem CID170121840
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name6-butoxy-1-(3-cyclopropyl-3-hydroxycyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one
SMILESCCCCOc1cnc2c(c1)CCC(=O)N2C1CC(O)(C2CC2)C1
InChIInChI=1S/C19H26N2O3/c1-2-3-8-24-16-9-13-4-7-17(22)21(18(13)20-12-16)15-10-19(23,11-15)14-5-6-14/h9,12,14-15,23H,2-8,10-11H2,1H3
InChIKeySBXJNXRAAXIASD-UHFFFAOYSA-N
XLogP2.84
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.84
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-(hydroxymethyl)cyclobutyl]-3,4-dihydro-1,8-naphthyridin-2-one
CID 168997722
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
4-(3-cyclopropyl-3-hydroxycyclobutyl)-11-(3-methylbutoxy)-13-azatricyclo[7.4.0.03,5]trideca-1(9),10,12-trien-6-one
CID 170052290
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-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028
5-pentoxy-2,3-dihydroinden-1-one
CID 104986088
1-(3-butoxypyrido[2,3-d]pyridazin-8-yl)-3-methylazetidin-3-ol
CID 168996364
(6-butoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-(5-iodo-1,3-oxazol-2-yl)methanone
CID 118358562
4-methyl-7-pentoxy-3,4-dihydro-1H-naphthalen-2-one
CID 158325360
5-octoxy-2,3-dihydro-1H-inden-1-ol
CID 107684624
ethyl 6-butoxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carboxylate
CID 71201469

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-1-(3-cyclopropyl-3-hydroxycyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one?
The IUPAC name of 6-butoxy-1-(3-cyclopropyl-3-hydroxycyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one (CID 170121840) is 6-butoxy-1-(3-cyclopropyl-3-hydroxycyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-butoxy-1-(3-cyclopropyl-3-hydroxycyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one?
The canonical SMILES for 6-butoxy-1-(3-cyclopropyl-3-hydroxycyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one is CCCCOc1cnc2c(c1)CCC(=O)N2C1CC(O)(C2CC2)C1.
What is the InChIKey of 6-butoxy-1-(3-cyclopropyl-3-hydroxycyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one?
The InChIKey is SBXJNXRAAXIASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-2-3-8-24-16-9-13-4-7-17(22)21(18(13)20-12-16)15-10-19(23,11-15)14-5-6-14/h9,12,14-15,23H,2-8,10-11H2,1H3.
What are the key properties of 6-butoxy-1-(3-cyclopropyl-3-hydroxycyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one?
6-butoxy-1-(3-cyclopropyl-3-hydroxycyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one has a molecular weight of 330.43 g/mol, XLogP of 2.84, 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-cyclopropyl-3-hydroxycyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one is sourced from PubChem (CID 170121840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).