3-[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-7-(4-methylpiperazin-1-yl)-9H-carbazole-1-carboxamide

C30H34ClN5O3 — CID 66604336

IUPAC3-[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-7-(4-methylpiperazin-1-yl)-9H-carbazole-1-carboxamide
SMILESCN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(-c4ccc(OCCN5CCOCC5)c(Cl)c4)cc23)CC1
InChIInChI=1S/C30H34ClN5O3/c1-34-6-8-36(9-7-34)22-3-4-23-24-16-21(17-25(30(32)37)29(24)33-27(23)19-22)20-2-5-28(26(31)18-20)39-15-12-35-10-13-38-14-11-35/h2-5,16-19,33H,6-15H2,1H3,(H2,32,37)
InChIKeyIHMWHYVEHPXONQ-UHFFFAOYSA-N
MW548.09 g/mol
LogP4.20
Rot. Bonds7

About 3-[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-7-(4-methylpiperazin-1-yl)-9H-carbazole-1-carboxamide

3-[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-7-(4-methylpiperazin-1-yl)-9H-carbazole-1-carboxamide (PubChem CID 66604336) has the molecular formula C30H34ClN5O3 and a molecular weight of 548.09 g/mol. Its IUPAC name is 3-[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-7-(4-methylpiperazin-1-yl)-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name3-[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-7-(4-methylpiperazin-1-yl)-9H-carbazole-1-carboxamide
PubChem CID66604336
Molecular FormulaC30H34ClN5O3
Molecular Weight548.09 g/mol
Exact Mass547.24
IUPAC Name3-[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-7-(4-methylpiperazin-1-yl)-9H-carbazole-1-carboxamide
SMILESCN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(-c4ccc(OCCN5CCOCC5)c(Cl)c4)cc23)CC1
InChIInChI=1S/C30H34ClN5O3/c1-34-6-8-36(9-7-34)22-3-4-23-24-16-21(17-25(30(32)37)29(24)33-27(23)19-22)20-2-5-28(26(31)18-20)39-15-12-35-10-13-38-14-11-35/h2-5,16-19,33H,6-15H2,1H3,(H2,32,37)
InChIKeyIHMWHYVEHPXONQ-UHFFFAOYSA-N
XLogP4.20
TPSA87.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.09
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[8-carbamoyl-6-[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-9H-carbazol-2-yl]piperazine-1-carboxylic acid
CID 66605357
CID 89054149
CID 89054149
2-[3-chloro-4-[2-(1,4-oxazepan-4-yl)ethoxy]phenyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604492
2-[3-chloro-4-[2-(1,1-dihydroxy-1,4-thiazinan-4-yl)ethoxy]phenyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604896
methyl 4-[2-[4-(4-carbamoyl-7-morpholin-4-yl-5H-pyrido[3,2-b]indol-2-yl)-2-chlorophenoxy]ethyl]piperazine-1-carboxylate
CID 66614365
2-[3-chloro-4-[2-(4-morpholin-4-ylpiperidin-1-yl)ethoxy]phenyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604772
2-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604515
tert-butyl 4-[8-carbamoyl-6-[3-chloro-4-(trideuteriomethoxy)phenyl]-9H-carbazol-2-yl]piperazine-1-carboxylate
CID 87071283
3-(3,5-dichloro-4-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
CID 66605846
2-(4-chlorophenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604854
2-(3-chloro-4-piperidin-4-yloxyphenyl)-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604352
7-(4-tert-butylpiperazin-1-yl)-3-(1-methylindazol-5-yl)-9H-carbazole-1-carboxamide
CID 67419957

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-7-(4-methylpiperazin-1-yl)-9H-carbazole-1-carboxamide?
The IUPAC name of 3-[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-7-(4-methylpiperazin-1-yl)-9H-carbazole-1-carboxamide (CID 66604336) is 3-[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-7-(4-methylpiperazin-1-yl)-9H-carbazole-1-carboxamide.
What is the SMILES notation for 3-[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-7-(4-methylpiperazin-1-yl)-9H-carbazole-1-carboxamide?
The canonical SMILES for 3-[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-7-(4-methylpiperazin-1-yl)-9H-carbazole-1-carboxamide is CN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(-c4ccc(OCCN5CCOCC5)c(Cl)c4)cc23)CC1.
What is the InChIKey of 3-[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-7-(4-methylpiperazin-1-yl)-9H-carbazole-1-carboxamide?
The InChIKey is IHMWHYVEHPXONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClN5O3/c1-34-6-8-36(9-7-34)22-3-4-23-24-16-21(17-25(30(32)37)29(24)33-27(23)19-22)20-2-5-28(26(31)18-20)39-15-12-35-10-13-38-14-11-35/h2-5,16-19,33H,6-15H2,1H3,(H2,32,37).
What are the key properties of 3-[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-7-(4-methylpiperazin-1-yl)-9H-carbazole-1-carboxamide?
3-[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-7-(4-methylpiperazin-1-yl)-9H-carbazole-1-carboxamide has a molecular weight of 548.09 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-7-(4-methylpiperazin-1-yl)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 66604336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).