6-(2-bromoethoxy)-1-(3-hydroxy-3-methylcyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one

C15H19BrN2O3 — CID 168996307

IUPAC6-(2-bromoethoxy)-1-(3-hydroxy-3-methylcyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one
SMILESCC1(O)CC(N2C(=O)CCc3cc(OCCBr)cnc32)C1
InChIInChI=1S/C15H19BrN2O3/c1-15(20)7-11(8-15)18-13(19)3-2-10-6-12(21-5-4-16)9-17-14(10)18/h6,9,11,20H,2-5,7-8H2,1H3
InChIKeyGIGYSFKMAYISLP-UHFFFAOYSA-N
MW355.23 g/mol
LogP2.05
Rot. Bonds4

About 6-(2-bromoethoxy)-1-(3-hydroxy-3-methylcyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one

6-(2-bromoethoxy)-1-(3-hydroxy-3-methylcyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one (PubChem CID 168996307) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 6-(2-bromoethoxy)-1-(3-hydroxy-3-methylcyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-(2-bromoethoxy)-1-(3-hydroxy-3-methylcyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one
PubChem CID168996307
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name6-(2-bromoethoxy)-1-(3-hydroxy-3-methylcyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one
SMILESCC1(O)CC(N2C(=O)CCc3cc(OCCBr)cnc32)C1
InChIInChI=1S/C15H19BrN2O3/c1-15(20)7-11(8-15)18-13(19)3-2-10-6-12(21-5-4-16)9-17-14(10)18/h6,9,11,20H,2-5,7-8H2,1H3
InChIKeyGIGYSFKMAYISLP-UHFFFAOYSA-N
XLogP2.05
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-bromoethoxy)-1-(3-hydroxy-3-methylcyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one?
The IUPAC name of 6-(2-bromoethoxy)-1-(3-hydroxy-3-methylcyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one (CID 168996307) is 6-(2-bromoethoxy)-1-(3-hydroxy-3-methylcyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-(2-bromoethoxy)-1-(3-hydroxy-3-methylcyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one?
The canonical SMILES for 6-(2-bromoethoxy)-1-(3-hydroxy-3-methylcyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one is CC1(O)CC(N2C(=O)CCc3cc(OCCBr)cnc32)C1.
What is the InChIKey of 6-(2-bromoethoxy)-1-(3-hydroxy-3-methylcyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one?
The InChIKey is GIGYSFKMAYISLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-15(20)7-11(8-15)18-13(19)3-2-10-6-12(21-5-4-16)9-17-14(10)18/h6,9,11,20H,2-5,7-8H2,1H3.
What are the key properties of 6-(2-bromoethoxy)-1-(3-hydroxy-3-methylcyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one?
6-(2-bromoethoxy)-1-(3-hydroxy-3-methylcyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one has a molecular weight of 355.23 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromoethoxy)-1-(3-hydroxy-3-methylcyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one is sourced from PubChem (CID 168996307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).