ethyl 5-chloro-7-(morpholin-4-ylmethyl)-1H-indole-2-carboxylate

C16H19ClN2O3 — CID 67414308

IUPACethyl 5-chloro-7-(morpholin-4-ylmethyl)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(Cl)cc(CN3CCOCC3)c2[nH]1
InChIInChI=1S/C16H19ClN2O3/c1-2-22-16(20)14-9-11-7-13(17)8-12(15(11)18-14)10-19-3-5-21-6-4-19/h7-9,18H,2-6,10H2,1H3
InChIKeyDPDVDHBMWPEJTO-UHFFFAOYSA-N
MW322.79 g/mol
LogP2.83
Rot. Bonds4

About ethyl 5-chloro-7-(morpholin-4-ylmethyl)-1H-indole-2-carboxylate

ethyl 5-chloro-7-(morpholin-4-ylmethyl)-1H-indole-2-carboxylate (PubChem CID 67414308) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is ethyl 5-chloro-7-(morpholin-4-ylmethyl)-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-7-(morpholin-4-ylmethyl)-1H-indole-2-carboxylate
PubChem CID67414308
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Nameethyl 5-chloro-7-(morpholin-4-ylmethyl)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(Cl)cc(CN3CCOCC3)c2[nH]1
InChIInChI=1S/C16H19ClN2O3/c1-2-22-16(20)14-9-11-7-13(17)8-12(15(11)18-14)10-19-3-5-21-6-4-19/h7-9,18H,2-6,10H2,1H3
InChIKeyDPDVDHBMWPEJTO-UHFFFAOYSA-N
XLogP2.83
TPSA54.56 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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 5-chloro-7-(morpholin-4-ylmethyl)-1H-indole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-chloro-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole-7-carboxylate
CID 12823090
[5-chloro-7-(morpholin-4-ylmethyl)-1H-indol-2-yl]-[4-(2,3-dihydro-1,3-benzoxazol-7-yl)piperidin-1-yl]methanone
CID 141204958
ethyl 5-(2-morpholin-4-ylethoxy)-1H-indole-2-carboxylate
CID 11623861
ethyl 5,6-bis(4-chlorophenyl)-3-(morpholin-4-ylmethyl)pyrazine-2-carboxylate
CID 69142821
ethyl 4-[4-(morpholin-4-ylmethyl)benzoyl]benzoate
CID 24724227
ethyl 4-[(Z)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]benzoate
CID 89048082
ethyl (6R)-6-(3-chlorophenyl)-3-ethyl-4-(morpholin-4-ylmethyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 93089020
ethyl 3-[3-(morpholin-4-ylmethyl)benzoyl]benzoate
CID 24724678
ethyl 7-prop-2-enyl-1H-indole-2-carboxylate
CID 10398931
6-chloro-4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-amine;dihydrobromide
CID 67238651
ethyl 4-chloro-5-methyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 2466476
ethyl 7-methyl-1H-indole-2-carboxylate
CID 1235155

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-7-(morpholin-4-ylmethyl)-1H-indole-2-carboxylate?
The IUPAC name of ethyl 5-chloro-7-(morpholin-4-ylmethyl)-1H-indole-2-carboxylate (CID 67414308) is ethyl 5-chloro-7-(morpholin-4-ylmethyl)-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 5-chloro-7-(morpholin-4-ylmethyl)-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 5-chloro-7-(morpholin-4-ylmethyl)-1H-indole-2-carboxylate is CCOC(=O)c1cc2cc(Cl)cc(CN3CCOCC3)c2[nH]1.
What is the InChIKey of ethyl 5-chloro-7-(morpholin-4-ylmethyl)-1H-indole-2-carboxylate?
The InChIKey is DPDVDHBMWPEJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c1-2-22-16(20)14-9-11-7-13(17)8-12(15(11)18-14)10-19-3-5-21-6-4-19/h7-9,18H,2-6,10H2,1H3.
What are the key properties of ethyl 5-chloro-7-(morpholin-4-ylmethyl)-1H-indole-2-carboxylate?
ethyl 5-chloro-7-(morpholin-4-ylmethyl)-1H-indole-2-carboxylate has a molecular weight of 322.79 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-7-(morpholin-4-ylmethyl)-1H-indole-2-carboxylate is sourced from PubChem (CID 67414308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).