ethane;1-(3-hydroxy-3-propan-2-ylcyclobutyl)-6-propoxy-3,4-dihydro-1,8-naphthyridin-2-one

C20H32N2O3 — CID 168996342

IUPACethane;1-(3-hydroxy-3-propan-2-ylcyclobutyl)-6-propoxy-3,4-dihydro-1,8-naphthyridin-2-one
SMILESCC.CCCOc1cnc2c(c1)CCC(=O)N2C1CC(O)(C(C)C)C1
InChIInChI=1S/C18H26N2O3.C2H6/c1-4-7-23-15-8-13-5-6-16(21)20(17(13)19-11-15)14-9-18(22,10-14)12(2)3;1-2/h8,11-12,14,22H,4-7,9-10H2,1-3H3;1-2H3
InChIKeySGWZWZORZRFSTG-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.73
Rot. Bonds5

About ethane;1-(3-hydroxy-3-propan-2-ylcyclobutyl)-6-propoxy-3,4-dihydro-1,8-naphthyridin-2-one

ethane;1-(3-hydroxy-3-propan-2-ylcyclobutyl)-6-propoxy-3,4-dihydro-1,8-naphthyridin-2-one (PubChem CID 168996342) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is ethane;1-(3-hydroxy-3-propan-2-ylcyclobutyl)-6-propoxy-3,4-dihydro-1,8-naphthyridin-2-one.

Molecular Properties

Compound Nameethane;1-(3-hydroxy-3-propan-2-ylcyclobutyl)-6-propoxy-3,4-dihydro-1,8-naphthyridin-2-one
PubChem CID168996342
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Nameethane;1-(3-hydroxy-3-propan-2-ylcyclobutyl)-6-propoxy-3,4-dihydro-1,8-naphthyridin-2-one
SMILESCC.CCCOc1cnc2c(c1)CCC(=O)N2C1CC(O)(C(C)C)C1
InChIInChI=1S/C18H26N2O3.C2H6/c1-4-7-23-15-8-13-5-6-16(21)20(17(13)19-11-15)14-9-18(22,10-14)12(2)3;1-2/h8,11-12,14,22H,4-7,9-10H2,1-3H3;1-2H3
InChIKeySGWZWZORZRFSTG-UHFFFAOYSA-N
XLogP3.73
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-hydroxy-3-propan-2-ylcyclobutyl)-6-propoxy-3,4-dihydro-1,8-naphthyridin-2-one?
The IUPAC name of ethane;1-(3-hydroxy-3-propan-2-ylcyclobutyl)-6-propoxy-3,4-dihydro-1,8-naphthyridin-2-one (CID 168996342) is ethane;1-(3-hydroxy-3-propan-2-ylcyclobutyl)-6-propoxy-3,4-dihydro-1,8-naphthyridin-2-one.
What is the SMILES notation for ethane;1-(3-hydroxy-3-propan-2-ylcyclobutyl)-6-propoxy-3,4-dihydro-1,8-naphthyridin-2-one?
The canonical SMILES for ethane;1-(3-hydroxy-3-propan-2-ylcyclobutyl)-6-propoxy-3,4-dihydro-1,8-naphthyridin-2-one is CC.CCCOc1cnc2c(c1)CCC(=O)N2C1CC(O)(C(C)C)C1.
What is the InChIKey of ethane;1-(3-hydroxy-3-propan-2-ylcyclobutyl)-6-propoxy-3,4-dihydro-1,8-naphthyridin-2-one?
The InChIKey is SGWZWZORZRFSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3.C2H6/c1-4-7-23-15-8-13-5-6-16(21)20(17(13)19-11-15)14-9-18(22,10-14)12(2)3;1-2/h8,11-12,14,22H,4-7,9-10H2,1-3H3;1-2H3.
What are the key properties of ethane;1-(3-hydroxy-3-propan-2-ylcyclobutyl)-6-propoxy-3,4-dihydro-1,8-naphthyridin-2-one?
ethane;1-(3-hydroxy-3-propan-2-ylcyclobutyl)-6-propoxy-3,4-dihydro-1,8-naphthyridin-2-one has a molecular weight of 348.49 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-hydroxy-3-propan-2-ylcyclobutyl)-6-propoxy-3,4-dihydro-1,8-naphthyridin-2-one is sourced from PubChem (CID 168996342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).