4-chloro-1-methyl-6-(2-morpholin-4-ylethyl)indole-2-carboxylic acid

C16H19ClN2O3 — CID 177063838

IUPAC4-chloro-1-methyl-6-(2-morpholin-4-ylethyl)indole-2-carboxylic acid
SMILESCn1c(C(=O)O)cc2c(Cl)cc(CCN3CCOCC3)cc21
InChIInChI=1S/C16H19ClN2O3/c1-18-14-9-11(2-3-19-4-6-22-7-5-19)8-13(17)12(14)10-15(18)16(20)21/h8-10H,2-7H2,1H3,(H,20,21)
InChIKeyDHZPOXRBZFMQGY-UHFFFAOYSA-N
MW322.79 g/mol
LogP2.40
Rot. Bonds4

About 4-chloro-1-methyl-6-(2-morpholin-4-ylethyl)indole-2-carboxylic acid

4-chloro-1-methyl-6-(2-morpholin-4-ylethyl)indole-2-carboxylic acid (PubChem CID 177063838) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is 4-chloro-1-methyl-6-(2-morpholin-4-ylethyl)indole-2-carboxylic acid.

Molecular Properties

Compound Name4-chloro-1-methyl-6-(2-morpholin-4-ylethyl)indole-2-carboxylic acid
PubChem CID177063838
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Name4-chloro-1-methyl-6-(2-morpholin-4-ylethyl)indole-2-carboxylic acid
SMILESCn1c(C(=O)O)cc2c(Cl)cc(CCN3CCOCC3)cc21
InChIInChI=1S/C16H19ClN2O3/c1-18-14-9-11(2-3-19-4-6-22-7-5-19)8-13(17)12(14)10-15(18)16(20)21/h8-10H,2-7H2,1H3,(H,20,21)
InChIKeyDHZPOXRBZFMQGY-UHFFFAOYSA-N
XLogP2.40
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-1-methyl-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indole-2-carboxylic acid
CID 142427738
2-methyl-5-(2-morpholin-4-ylethyl)benzoic acid
CID 70846219
5-chloro-2-methoxy-3-(2-morpholin-4-ylethyl)benzoic acid;ethane
CID 171074585
1-[4-(2-morpholin-4-ylethyl)phenyl]cyclopropane-1-carboxylic acid
CID 117440559
methane;4-(2-phenylethyl)morpholine
CID 143698819
4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
CID 170870147
1,4-dimethyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 110849661
3-(2-morpholin-4-ylethyl)phenol
CID 82187913
4-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]morpholine
CID 869403
1-[5-(3-morpholin-4-ylpropyl)furan-2-yl]ethanone
CID 162740835
1-[2-(3,5-dichlorophenyl)ethyl]-3-(3-morpholin-4-ylpropyl)urea
CID 60593286
N-(2-chloro-4,6-dimethylphenyl)-3-morpholin-4-ylpropanamide
CID 110688490

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-6-(2-morpholin-4-ylethyl)indole-2-carboxylic acid?
The IUPAC name of 4-chloro-1-methyl-6-(2-morpholin-4-ylethyl)indole-2-carboxylic acid (CID 177063838) is 4-chloro-1-methyl-6-(2-morpholin-4-ylethyl)indole-2-carboxylic acid.
What is the SMILES notation for 4-chloro-1-methyl-6-(2-morpholin-4-ylethyl)indole-2-carboxylic acid?
The canonical SMILES for 4-chloro-1-methyl-6-(2-morpholin-4-ylethyl)indole-2-carboxylic acid is Cn1c(C(=O)O)cc2c(Cl)cc(CCN3CCOCC3)cc21.
What is the InChIKey of 4-chloro-1-methyl-6-(2-morpholin-4-ylethyl)indole-2-carboxylic acid?
The InChIKey is DHZPOXRBZFMQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c1-18-14-9-11(2-3-19-4-6-22-7-5-19)8-13(17)12(14)10-15(18)16(20)21/h8-10H,2-7H2,1H3,(H,20,21).
What are the key properties of 4-chloro-1-methyl-6-(2-morpholin-4-ylethyl)indole-2-carboxylic acid?
4-chloro-1-methyl-6-(2-morpholin-4-ylethyl)indole-2-carboxylic acid has a molecular weight of 322.79 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-6-(2-morpholin-4-ylethyl)indole-2-carboxylic acid is sourced from PubChem (CID 177063838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).