4-bromo-2-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-1-one;ethane

C11H17BrN2O — CID 154671597

IUPAC4-bromo-2-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-1-one;ethane
SMILESCC.Cn1cc(Br)c2c(c1=O)CNCC2
InChIInChI=1S/C9H11BrN2O.C2H6/c1-12-5-8(10)6-2-3-11-4-7(6)9(12)13;1-2/h5,11H,2-4H2,1H3;1-2H3
InChIKeyBPQOJKYDSODBTO-UHFFFAOYSA-N
MW273.17 g/mol
LogP1.82
Rot. Bonds

About 4-bromo-2-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-1-one;ethane

4-bromo-2-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-1-one;ethane (PubChem CID 154671597) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is 4-bromo-2-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-1-one;ethane.

Molecular Properties

Compound Name4-bromo-2-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-1-one;ethane
PubChem CID154671597
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC Name4-bromo-2-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-1-one;ethane
SMILESCC.Cn1cc(Br)c2c(c1=O)CNCC2
InChIInChI=1S/C9H11BrN2O.C2H6/c1-12-5-8(10)6-2-3-11-4-7(6)9(12)13;1-2/h5,11H,2-4H2,1H3;1-2H3
InChIKeyBPQOJKYDSODBTO-UHFFFAOYSA-N
XLogP1.82
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-methyl-5,6,7,8-tetrahydroisoquinolin-1-one
CID 118021767
4-chloro-2-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-one
CID 105451850
8-bromo-N,N,6-trimethyl-5-oxo-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide
CID 154671801
4-(1,2-ditert-butyl-2H-pyridin-5-yl)-2-methyl-5,6,7,8-tetrahydro-2,6-naphthyridin-1-one
CID 176646545
8-bromo-1,2,3,4-tetrahydroisoquinoline;ethane
CID 143708719
N-(5-bromo-1,2,3,4-tetrahydroisoquinolin-8-yl)formamide
CID 168653786
5-bromo-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 83902348
6-bromo-1,2,3,4-tetrahydroisoquinolin-5-ol
CID 84691693
1-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione
CID 83875697
3-[2-(2-methylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483907
3-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 83670995
4-bromo-2-(3-methoxypropyl)-5,6,7,8-tetrahydroisoquinolin-1-one
CID 138046992

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-1-one;ethane?
The IUPAC name of 4-bromo-2-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-1-one;ethane (CID 154671597) is 4-bromo-2-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-1-one;ethane.
What is the SMILES notation for 4-bromo-2-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-1-one;ethane?
The canonical SMILES for 4-bromo-2-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-1-one;ethane is CC.Cn1cc(Br)c2c(c1=O)CNCC2.
What is the InChIKey of 4-bromo-2-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-1-one;ethane?
The InChIKey is BPQOJKYDSODBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O.C2H6/c1-12-5-8(10)6-2-3-11-4-7(6)9(12)13;1-2/h5,11H,2-4H2,1H3;1-2H3.
What are the key properties of 4-bromo-2-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-1-one;ethane?
4-bromo-2-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-1-one;ethane has a molecular weight of 273.17 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-1-one;ethane is sourced from PubChem (CID 154671597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).