(6-bromo-1H-indol-3-yl)-(2-methylmorpholin-4-yl)methanone

C14H15BrN2O2 — CID 172654877

IUPAC(6-bromo-1H-indol-3-yl)-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2c[nH]c3cc(Br)ccc23)CCO1
InChIInChI=1S/C14H15BrN2O2/c1-9-8-17(4-5-19-9)14(18)12-7-16-13-6-10(15)2-3-11(12)13/h2-3,6-7,9,16H,4-5,8H2,1H3
InChIKeyGVEZZRCYDLXYSL-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.79
Rot. Bonds1

About (6-bromo-1H-indol-3-yl)-(2-methylmorpholin-4-yl)methanone

(6-bromo-1H-indol-3-yl)-(2-methylmorpholin-4-yl)methanone (PubChem CID 172654877) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is (6-bromo-1H-indol-3-yl)-(2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(6-bromo-1H-indol-3-yl)-(2-methylmorpholin-4-yl)methanone
PubChem CID172654877
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name(6-bromo-1H-indol-3-yl)-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2c[nH]c3cc(Br)ccc23)CCO1
InChIInChI=1S/C14H15BrN2O2/c1-9-8-17(4-5-19-9)14(18)12-7-16-13-6-10(15)2-3-11(12)13/h2-3,6-7,9,16H,4-5,8H2,1H3
InChIKeyGVEZZRCYDLXYSL-UHFFFAOYSA-N
XLogP2.79
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6-bromo-1-methylindol-3-yl)-(2-methylmorpholin-4-yl)methanone
CID 172654878
(6-bromo-1H-indol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 172654886
(5-bromo-1H-indol-2-yl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 30787030
(6-bromonaphthalen-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 115283093
[4-bromo-2-(trifluoromethoxy)phenyl]-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647360
4-(6-amino-1H-indole-3-carbonyl)morpholine-2-carbonitrile
CID 79664535
(2-bromo-4-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647327
(2-bromo-3-methylphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647311
3-(2-methylmorpholine-4-carbonyl)-1H-pyridin-4-one
CID 103336976
(4-bromo-2,6-difluorophenyl)-(2-methylmorpholin-4-yl)methanone
CID 71683349
(3-bromo-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172648043
(2-bromo-3-chlorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647316

Frequently Asked Questions

What is the IUPAC name of (6-bromo-1H-indol-3-yl)-(2-methylmorpholin-4-yl)methanone?
The IUPAC name of (6-bromo-1H-indol-3-yl)-(2-methylmorpholin-4-yl)methanone (CID 172654877) is (6-bromo-1H-indol-3-yl)-(2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (6-bromo-1H-indol-3-yl)-(2-methylmorpholin-4-yl)methanone?
The canonical SMILES for (6-bromo-1H-indol-3-yl)-(2-methylmorpholin-4-yl)methanone is CC1CN(C(=O)c2c[nH]c3cc(Br)ccc23)CCO1.
What is the InChIKey of (6-bromo-1H-indol-3-yl)-(2-methylmorpholin-4-yl)methanone?
The InChIKey is GVEZZRCYDLXYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-9-8-17(4-5-19-9)14(18)12-7-16-13-6-10(15)2-3-11(12)13/h2-3,6-7,9,16H,4-5,8H2,1H3.
What are the key properties of (6-bromo-1H-indol-3-yl)-(2-methylmorpholin-4-yl)methanone?
(6-bromo-1H-indol-3-yl)-(2-methylmorpholin-4-yl)methanone has a molecular weight of 323.19 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1H-indol-3-yl)-(2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 172654877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).