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

C20H28N2O3 — CID 169030888

IUPAC1-(3-cyclopropyl-3-hydroxycyclobutyl)-6-(3-methylbutoxy)-3,4-dihydro-1,8-naphthyridin-2-one
SMILESCC(C)CCOc1cnc2c(c1)CCC(=O)N2C1CC(O)(C2CC2)C1
InChIInChI=1S/C20H28N2O3/c1-13(2)7-8-25-17-9-14-3-6-18(23)22(19(14)21-12-17)16-10-20(24,11-16)15-4-5-15/h9,12-13,15-16,24H,3-8,10-11H2,1-2H3
InChIKeyIMXWQWJANCQCQD-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.09
Rot. Bonds6

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

1-(3-cyclopropyl-3-hydroxycyclobutyl)-6-(3-methylbutoxy)-3,4-dihydro-1,8-naphthyridin-2-one (PubChem CID 169030888) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-(3-cyclopropyl-3-hydroxycyclobutyl)-6-(3-methylbutoxy)-3,4-dihydro-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-(3-cyclopropyl-3-hydroxycyclobutyl)-6-(3-methylbutoxy)-3,4-dihydro-1,8-naphthyridin-2-one
PubChem CID169030888
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name1-(3-cyclopropyl-3-hydroxycyclobutyl)-6-(3-methylbutoxy)-3,4-dihydro-1,8-naphthyridin-2-one
SMILESCC(C)CCOc1cnc2c(c1)CCC(=O)N2C1CC(O)(C2CC2)C1
InChIInChI=1S/C20H28N2O3/c1-13(2)7-8-25-17-9-14-3-6-18(23)22(19(14)21-12-17)16-10-20(24,11-16)15-4-5-15/h9,12-13,15-16,24H,3-8,10-11H2,1-2H3
InChIKeyIMXWQWJANCQCQD-UHFFFAOYSA-N
XLogP3.09
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-3-hydroxycyclobutyl)-6-(3-methylbutoxy)-3,4-dihydro-1,8-naphthyridin-2-one?
The IUPAC name of 1-(3-cyclopropyl-3-hydroxycyclobutyl)-6-(3-methylbutoxy)-3,4-dihydro-1,8-naphthyridin-2-one (CID 169030888) is 1-(3-cyclopropyl-3-hydroxycyclobutyl)-6-(3-methylbutoxy)-3,4-dihydro-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-(3-cyclopropyl-3-hydroxycyclobutyl)-6-(3-methylbutoxy)-3,4-dihydro-1,8-naphthyridin-2-one?
The canonical SMILES for 1-(3-cyclopropyl-3-hydroxycyclobutyl)-6-(3-methylbutoxy)-3,4-dihydro-1,8-naphthyridin-2-one is CC(C)CCOc1cnc2c(c1)CCC(=O)N2C1CC(O)(C2CC2)C1.
What is the InChIKey of 1-(3-cyclopropyl-3-hydroxycyclobutyl)-6-(3-methylbutoxy)-3,4-dihydro-1,8-naphthyridin-2-one?
The InChIKey is IMXWQWJANCQCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-13(2)7-8-25-17-9-14-3-6-18(23)22(19(14)21-12-17)16-10-20(24,11-16)15-4-5-15/h9,12-13,15-16,24H,3-8,10-11H2,1-2H3.
What are the key properties of 1-(3-cyclopropyl-3-hydroxycyclobutyl)-6-(3-methylbutoxy)-3,4-dihydro-1,8-naphthyridin-2-one?
1-(3-cyclopropyl-3-hydroxycyclobutyl)-6-(3-methylbutoxy)-3,4-dihydro-1,8-naphthyridin-2-one has a molecular weight of 344.46 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-3-hydroxycyclobutyl)-6-(3-methylbutoxy)-3,4-dihydro-1,8-naphthyridin-2-one is sourced from PubChem (CID 169030888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).