6-chloro-4-methoxy-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-2-carboxamide

C23H27ClN4O3 — CID 167974582

IUPAC6-chloro-4-methoxy-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-2-carboxamide
SMILESCOc1cc(Cl)cc2[nH]c(C(=O)Nc3ccccc3OCCN3CCN(C)CC3)cc12
InChIInChI=1S/C23H27ClN4O3/c1-27-7-9-28(10-8-27)11-12-31-21-6-4-3-5-18(21)26-23(29)20-15-17-19(25-20)13-16(24)14-22(17)30-2/h3-6,13-15,25H,7-12H2,1-2H3,(H,26,29)
InChIKeyJPGYMSLGGAXRNU-UHFFFAOYSA-N
MW442.95 g/mol
LogP3.71
Rot. Bonds7

About 6-chloro-4-methoxy-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-2-carboxamide

6-chloro-4-methoxy-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-2-carboxamide (PubChem CID 167974582) has the molecular formula C23H27ClN4O3 and a molecular weight of 442.95 g/mol. Its IUPAC name is 6-chloro-4-methoxy-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-4-methoxy-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-2-carboxamide
PubChem CID167974582
Molecular FormulaC23H27ClN4O3
Molecular Weight442.95 g/mol
Exact Mass442.18
IUPAC Name6-chloro-4-methoxy-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-2-carboxamide
SMILESCOc1cc(Cl)cc2[nH]c(C(=O)Nc3ccccc3OCCN3CCN(C)CC3)cc12
InChIInChI=1S/C23H27ClN4O3/c1-27-7-9-28(10-8-27)11-12-31-21-6-4-3-5-18(21)26-23(29)20-15-17-19(25-20)13-16(24)14-22(17)30-2/h3-6,13-15,25H,7-12H2,1-2H3,(H,26,29)
InChIKeyJPGYMSLGGAXRNU-UHFFFAOYSA-N
XLogP3.71
TPSA69.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.95
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-4-methoxy-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

7-fluoro-4-methoxy-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-2-carboxamide
CID 166221366
N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]thiophene-3-carboxamide
CID 56782304
2-(4-methylpiperazin-1-yl)ethyl N-(2-heptoxyphenyl)carbamate
CID 24836479
N-(2-propoxyphenyl)-1H-indole-2-carboxamide
CID 51145976
4-(3-bromopropoxy)-N-(2-chlorophenyl)-1H-indole-2-carboxamide
CID 46934621
N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-naphthalen-2-ylpropanamide
CID 71878336
N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 166210291
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2-propoxyphenyl)acetamide
CID 24585994
2,2-difluoro-2-(1-hydroxycyclopentyl)-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]acetamide
CID 154756269
N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxamide
CID 166381252
N-[2-(2-phenylethoxy)phenyl]-1H-indole-2-carboxamide
CID 55675130
N-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302129

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methoxy-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-4-methoxy-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-2-carboxamide (CID 167974582) is 6-chloro-4-methoxy-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-4-methoxy-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-4-methoxy-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-2-carboxamide is COc1cc(Cl)cc2[nH]c(C(=O)Nc3ccccc3OCCN3CCN(C)CC3)cc12.
What is the InChIKey of 6-chloro-4-methoxy-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-2-carboxamide?
The InChIKey is JPGYMSLGGAXRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O3/c1-27-7-9-28(10-8-27)11-12-31-21-6-4-3-5-18(21)26-23(29)20-15-17-19(25-20)13-16(24)14-22(17)30-2/h3-6,13-15,25H,7-12H2,1-2H3,(H,26,29).
What are the key properties of 6-chloro-4-methoxy-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-2-carboxamide?
6-chloro-4-methoxy-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-2-carboxamide has a molecular weight of 442.95 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methoxy-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 167974582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).