4-bromo-2-methyl-6-morpholin-4-yl-2,7-naphthyridin-1-one

C13H14BrN3O2 — CID 154670161

IUPAC4-bromo-2-methyl-6-morpholin-4-yl-2,7-naphthyridin-1-one
SMILESCn1cc(Br)c2cc(N3CCOCC3)ncc2c1=O
InChIInChI=1S/C13H14BrN3O2/c1-16-8-11(14)9-6-12(15-7-10(9)13(16)18)17-2-4-19-5-3-17/h6-8H,2-5H2,1H3
InChIKeySQHQEMPEWPEVRM-UHFFFAOYSA-N
MW324.18 g/mol
LogP1.53
Rot. Bonds1

About 4-bromo-2-methyl-6-morpholin-4-yl-2,7-naphthyridin-1-one

4-bromo-2-methyl-6-morpholin-4-yl-2,7-naphthyridin-1-one (PubChem CID 154670161) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 4-bromo-2-methyl-6-morpholin-4-yl-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name4-bromo-2-methyl-6-morpholin-4-yl-2,7-naphthyridin-1-one
PubChem CID154670161
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name4-bromo-2-methyl-6-morpholin-4-yl-2,7-naphthyridin-1-one
SMILESCn1cc(Br)c2cc(N3CCOCC3)ncc2c1=O
InChIInChI=1S/C13H14BrN3O2/c1-16-8-11(14)9-6-12(15-7-10(9)13(16)18)17-2-4-19-5-3-17/h6-8H,2-5H2,1H3
InChIKeySQHQEMPEWPEVRM-UHFFFAOYSA-N
XLogP1.53
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-bromo-2-morpholin-4-yl-4-pyridinyl)methanol
CID 19437119
3-methyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-one
CID 134160396
4-(1-methylpyrido[3,4-d]pyridazin-7-yl)morpholine
CID 175916253
4-(4-chloro-5-methyl-2-pyridinyl)morpholine
CID 142202781
6,8-dimethyl-3-morpholin-4-ylpyrimido[4,5-c]pyridazine-5,7-dione
CID 6408828
1-(7-methyl-3-morpholin-4-ylisoquinolin-5-yl)ethanone
CID 171520543
5,13-dimethyl-11-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one
CID 53368200
(1S)-1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)ethanol
CID 124501974
3-methyl-7-(3-morpholin-4-ylphenyl)quinazolin-4-one
CID 167886236
4-(8-methyl-7,8-dihydroisoquinolin-3-yl)morpholine
CID 163833292
4-[1-methyl-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]morpholine
CID 90468211
4-[4-methyl-5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]morpholine
CID 102543259

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-6-morpholin-4-yl-2,7-naphthyridin-1-one?
The IUPAC name of 4-bromo-2-methyl-6-morpholin-4-yl-2,7-naphthyridin-1-one (CID 154670161) is 4-bromo-2-methyl-6-morpholin-4-yl-2,7-naphthyridin-1-one.
What is the SMILES notation for 4-bromo-2-methyl-6-morpholin-4-yl-2,7-naphthyridin-1-one?
The canonical SMILES for 4-bromo-2-methyl-6-morpholin-4-yl-2,7-naphthyridin-1-one is Cn1cc(Br)c2cc(N3CCOCC3)ncc2c1=O.
What is the InChIKey of 4-bromo-2-methyl-6-morpholin-4-yl-2,7-naphthyridin-1-one?
The InChIKey is SQHQEMPEWPEVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-16-8-11(14)9-6-12(15-7-10(9)13(16)18)17-2-4-19-5-3-17/h6-8H,2-5H2,1H3.
What are the key properties of 4-bromo-2-methyl-6-morpholin-4-yl-2,7-naphthyridin-1-one?
4-bromo-2-methyl-6-morpholin-4-yl-2,7-naphthyridin-1-one has a molecular weight of 324.18 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-6-morpholin-4-yl-2,7-naphthyridin-1-one is sourced from PubChem (CID 154670161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).