4,6,7-trimethoxy-N-(3-morpholin-4-ylphenyl)-1H-indole-2-carboxamide

C22H25N3O5 — CID 55951801

IUPAC4,6,7-trimethoxy-N-(3-morpholin-4-ylphenyl)-1H-indole-2-carboxamide
SMILESCOc1cc(OC)c2cc(C(=O)Nc3cccc(N4CCOCC4)c3)[nH]c2c1OC
InChIInChI=1S/C22H25N3O5/c1-27-18-13-19(28-2)21(29-3)20-16(18)12-17(24-20)22(26)23-14-5-4-6-15(11-14)25-7-9-30-10-8-25/h4-6,11-13,24H,7-10H2,1-3H3,(H,23,26)
InChIKeyHOMKIBAOKUQWOB-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.28
Rot. Bonds6

About 4,6,7-trimethoxy-N-(3-morpholin-4-ylphenyl)-1H-indole-2-carboxamide

4,6,7-trimethoxy-N-(3-morpholin-4-ylphenyl)-1H-indole-2-carboxamide (PubChem CID 55951801) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is 4,6,7-trimethoxy-N-(3-morpholin-4-ylphenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4,6,7-trimethoxy-N-(3-morpholin-4-ylphenyl)-1H-indole-2-carboxamide
PubChem CID55951801
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC Name4,6,7-trimethoxy-N-(3-morpholin-4-ylphenyl)-1H-indole-2-carboxamide
SMILESCOc1cc(OC)c2cc(C(=O)Nc3cccc(N4CCOCC4)c3)[nH]c2c1OC
InChIInChI=1S/C22H25N3O5/c1-27-18-13-19(28-2)21(29-3)20-16(18)12-17(24-20)22(26)23-14-5-4-6-15(11-14)25-7-9-30-10-8-25/h4-6,11-13,24H,7-10H2,1-3H3,(H,23,26)
InChIKeyHOMKIBAOKUQWOB-UHFFFAOYSA-N
XLogP3.28
TPSA85.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4,6,7-trimethoxy-N-(3-morpholin-4-ylphenyl)-1H-indole-2-carboxamide 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

3,4,5-trimethoxy-N-[[3-[(4-morpholin-4-ylbenzoyl)amino]phenyl]carbamothioyl]benzamide
CID 57326208
N-(1,3-benzodioxol-5-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 39877251
4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 86821841
3-methoxy-4-(3-methylbutoxy)-N-(3-morpholin-4-ylphenyl)benzamide
CID 55951918
4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 142713208
2,3-dimethoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 26269457
3-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylphenyl)prop-2-enamide
CID 1232475
4,6,7-trimethoxy-N-[4-(propanoylamino)phenyl]-1H-indole-2-carboxamide
CID 55847127
3-(carbamoylamino)-N-(3-morpholin-4-ylphenyl)benzamide
CID 86821869
3-bromo-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362330
2,2-dimethyl-N-(3-morpholin-4-ylphenyl)propanamide
CID 47342308
5-chloro-3-methyl-N-(3-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
CID 55951792

Frequently Asked Questions

What is the IUPAC name of 4,6,7-trimethoxy-N-(3-morpholin-4-ylphenyl)-1H-indole-2-carboxamide?
The IUPAC name of 4,6,7-trimethoxy-N-(3-morpholin-4-ylphenyl)-1H-indole-2-carboxamide (CID 55951801) is 4,6,7-trimethoxy-N-(3-morpholin-4-ylphenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 4,6,7-trimethoxy-N-(3-morpholin-4-ylphenyl)-1H-indole-2-carboxamide?
The canonical SMILES for 4,6,7-trimethoxy-N-(3-morpholin-4-ylphenyl)-1H-indole-2-carboxamide is COc1cc(OC)c2cc(C(=O)Nc3cccc(N4CCOCC4)c3)[nH]c2c1OC.
What is the InChIKey of 4,6,7-trimethoxy-N-(3-morpholin-4-ylphenyl)-1H-indole-2-carboxamide?
The InChIKey is HOMKIBAOKUQWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-27-18-13-19(28-2)21(29-3)20-16(18)12-17(24-20)22(26)23-14-5-4-6-15(11-14)25-7-9-30-10-8-25/h4-6,11-13,24H,7-10H2,1-3H3,(H,23,26).
What are the key properties of 4,6,7-trimethoxy-N-(3-morpholin-4-ylphenyl)-1H-indole-2-carboxamide?
4,6,7-trimethoxy-N-(3-morpholin-4-ylphenyl)-1H-indole-2-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7-trimethoxy-N-(3-morpholin-4-ylphenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 55951801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).