4-[[4-(6-bromopyridine-2-carbonyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one

C20H19BrN2O4 — CID 3397743

IUPAC4-[[4-(6-bromopyridine-2-carbonyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one
SMILESO=C1CCc2c(OCC3CN(C(=O)c4cccc(Br)n4)CCO3)cccc21
InChIInChI=1S/C20H19BrN2O4/c21-19-6-2-4-16(22-19)20(25)23-9-10-26-13(11-23)12-27-18-5-1-3-14-15(18)7-8-17(14)24/h1-6,13H,7-12H2
InChIKeyYDXKAIXEPOAKBX-UHFFFAOYSA-N
MW431.29 g/mol
LogP2.89
Rot. Bonds4

About 4-[[4-(6-bromopyridine-2-carbonyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one

4-[[4-(6-bromopyridine-2-carbonyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one (PubChem CID 3397743) has the molecular formula C20H19BrN2O4 and a molecular weight of 431.29 g/mol. Its IUPAC name is 4-[[4-(6-bromopyridine-2-carbonyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-[[4-(6-bromopyridine-2-carbonyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one
PubChem CID3397743
Molecular FormulaC20H19BrN2O4
Molecular Weight431.29 g/mol
Exact Mass430.05
IUPAC Name4-[[4-(6-bromopyridine-2-carbonyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one
SMILESO=C1CCc2c(OCC3CN(C(=O)c4cccc(Br)n4)CCO3)cccc21
InChIInChI=1S/C20H19BrN2O4/c21-19-6-2-4-16(22-19)20(25)23-9-10-26-13(11-23)12-27-18-5-1-3-14-15(18)7-8-17(14)24/h1-6,13H,7-12H2
InChIKeyYDXKAIXEPOAKBX-UHFFFAOYSA-N
XLogP2.89
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.29
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(6-bromo-2-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone
CID 92759778
4-[[4-(2-fluoropyridine-3-carbonyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one
CID 5103890
4-[[4-(5-butylpyridine-2-carbonyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one
CID 74224455
(6-bromo-2-pyridinyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone
CID 46100358
4-[[4-[(E)-2,3-diphenylprop-2-enoyl]morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one
CID 74224630
4-[[4-(2-quinoxalin-2-ylsulfanylacetyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one
CID 3669900
[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-(6-bromo-2-pyridinyl)methanone
CID 3740897
methyl 3-[4-[[4-(6-bromopyridine-2-carbonyl)morpholin-2-yl]methoxy]phenyl]-3-oxopropanoate
CID 3846581
(6-bromo-2-pyridinyl)-[2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone
CID 46100342
4-[[4-[3-(2-phenylethenylsulfanyl)propanoyl]morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one
CID 3868696
5-(oxolan-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65454257
[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-phenylmethanone
CID 46041108

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(6-bromopyridine-2-carbonyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one?
The IUPAC name of 4-[[4-(6-bromopyridine-2-carbonyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one (CID 3397743) is 4-[[4-(6-bromopyridine-2-carbonyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-[[4-(6-bromopyridine-2-carbonyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one?
The canonical SMILES for 4-[[4-(6-bromopyridine-2-carbonyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one is O=C1CCc2c(OCC3CN(C(=O)c4cccc(Br)n4)CCO3)cccc21.
What is the InChIKey of 4-[[4-(6-bromopyridine-2-carbonyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one?
The InChIKey is YDXKAIXEPOAKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O4/c21-19-6-2-4-16(22-19)20(25)23-9-10-26-13(11-23)12-27-18-5-1-3-14-15(18)7-8-17(14)24/h1-6,13H,7-12H2.
What are the key properties of 4-[[4-(6-bromopyridine-2-carbonyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one?
4-[[4-(6-bromopyridine-2-carbonyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one has a molecular weight of 431.29 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(6-bromopyridine-2-carbonyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one is sourced from PubChem (CID 3397743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).