2-[5-chloro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide

C20H26ClN3O2 — CID 155557426

IUPAC2-[5-chloro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide
SMILESCc1c(CCN2CCOCC2)c2cc(Cl)ccc2n1CC(=O)NC1CC1
InChIInChI=1S/C20H26ClN3O2/c1-14-17(6-7-23-8-10-26-11-9-23)18-12-15(21)2-5-19(18)24(14)13-20(25)22-16-3-4-16/h2,5,12,16H,3-4,6-11,13H2,1H3,(H,22,25)
InChIKeyQCXKERVTVQMFEV-UHFFFAOYSA-N
MW375.90 g/mol
LogP2.76
Rot. Bonds6

About 2-[5-chloro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide

2-[5-chloro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide (PubChem CID 155557426) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is 2-[5-chloro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[5-chloro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide
PubChem CID155557426
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC Name2-[5-chloro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide
SMILESCc1c(CCN2CCOCC2)c2cc(Cl)ccc2n1CC(=O)NC1CC1
InChIInChI=1S/C20H26ClN3O2/c1-14-17(6-7-23-8-10-26-11-9-23)18-12-15(21)2-5-19(18)24(14)13-20(25)22-16-3-4-16/h2,5,12,16H,3-4,6-11,13H2,1H3,(H,22,25)
InChIKeyQCXKERVTVQMFEV-UHFFFAOYSA-N
XLogP2.76
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

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CID 2920941
Cambridge id 7354412
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3-Amino-1-(6-chloro-1-cyclohexyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-one
CID 46224838
2-[5-Chloro-2-methyl-3-(6-oxo-1-propan-2-yl-3-pyridinyl)indol-1-yl]acetic acid
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ethyl 2-(6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamido)acetate
CID 609394
1-(8-chloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethanone
CID 29133832
4-chloro-N-({1-[2-(morpholin-4-yl)ethyl]-1H-indol-3-yl}methyl)aniline, 9
CID 44603603
N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclopropanecarboxamide
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N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]cyclobutanecarboxamide
CID 10758853
N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide
CID 10827392
8-Chloro-10-methyl-1,2,3,4-tetrahydro-pyrazino[1,2-a]indole
CID 14595518
1-{[1-(3-chlorobenzyl)-1H-indol-2-yl]methyl}-N-(3-methoxypropyl)-4-piperidinecarboxamide
CID 16033151

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[5-chloro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide (CID 155557426) is 2-[5-chloro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[5-chloro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[5-chloro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide is Cc1c(CCN2CCOCC2)c2cc(Cl)ccc2n1CC(=O)NC1CC1.
What is the InChIKey of 2-[5-chloro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide?
The InChIKey is QCXKERVTVQMFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O2/c1-14-17(6-7-23-8-10-26-11-9-23)18-12-15(21)2-5-19(18)24(14)13-20(25)22-16-3-4-16/h2,5,12,16H,3-4,6-11,13H2,1H3,(H,22,25).
What are the key properties of 2-[5-chloro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide?
2-[5-chloro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide has a molecular weight of 375.90 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 155557426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).