4-chloro-7-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione

C14H14ClFN2O3 — CID 79175249

IUPAC4-chloro-7-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
SMILESCN1CCOC(CN2C(=O)C(=O)c3c(Cl)ccc(F)c32)C1
InChIInChI=1S/C14H14ClFN2O3/c1-17-4-5-21-8(6-17)7-18-12-10(16)3-2-9(15)11(12)13(19)14(18)20/h2-3,8H,4-7H2,1H3
InChIKeyHTLQKPURMZCQMO-UHFFFAOYSA-N
MW312.73 g/mol
LogP1.34
Rot. Bonds2

About 4-chloro-7-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione

4-chloro-7-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione (PubChem CID 79175249) has the molecular formula C14H14ClFN2O3 and a molecular weight of 312.73 g/mol. Its IUPAC name is 4-chloro-7-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name4-chloro-7-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
PubChem CID79175249
Molecular FormulaC14H14ClFN2O3
Molecular Weight312.73 g/mol
Exact Mass312.07
IUPAC Name4-chloro-7-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
SMILESCN1CCOC(CN2C(=O)C(=O)c3c(Cl)ccc(F)c32)C1
InChIInChI=1S/C14H14ClFN2O3/c1-17-4-5-21-8(6-17)7-18-12-10(16)3-2-9(15)11(12)13(19)14(18)20/h2-3,8H,4-7H2,1H3
InChIKeyHTLQKPURMZCQMO-UHFFFAOYSA-N
XLogP1.34
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.73
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-7-fluoro-1-(oxan-2-ylmethyl)indole-2,3-dione
CID 61357910
4,6-difluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79175165
4-chloro-1-[(5,5-dimethyloxolan-2-yl)methyl]-7-fluoroindole-2,3-dione
CID 116522252
7-bromo-5-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79174305
4-chloro-7-fluoro-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione
CID 61358305
7-bromo-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79171085
4-chloro-7-fluoro-1-(2-methylpropyl)indole-2,3-dione
CID 61359084
5-bromo-6-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79175166
4,7-dichloro-1-(cyclopropylmethyl)indole-2,3-dione
CID 106988637
5-methyl-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79172063
3-methyl-1-[(4-methylmorpholin-2-yl)methyl]pyrrole-2,5-dione
CID 79071422
3-chloro-4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 83107478

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione?
The IUPAC name of 4-chloro-7-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione (CID 79175249) is 4-chloro-7-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 4-chloro-7-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione?
The canonical SMILES for 4-chloro-7-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione is CN1CCOC(CN2C(=O)C(=O)c3c(Cl)ccc(F)c32)C1.
What is the InChIKey of 4-chloro-7-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione?
The InChIKey is HTLQKPURMZCQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O3/c1-17-4-5-21-8(6-17)7-18-12-10(16)3-2-9(15)11(12)13(19)14(18)20/h2-3,8H,4-7H2,1H3.
What are the key properties of 4-chloro-7-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione?
4-chloro-7-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione has a molecular weight of 312.73 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 79175249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).