3-(3,4-dichlorophenyl)-6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide

C26H24Cl2N4O3 — CID 66605845

IUPAC3-(3,4-dichlorophenyl)-6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide
SMILESNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)cc2c1[nH]c1ccc(C(=O)N3CCN(CCO)CC3)cc12
InChIInChI=1S/C26H24Cl2N4O3/c27-21-3-1-15(14-22(21)28)17-12-19-18-11-16(26(35)32-7-5-31(6-8-32)9-10-33)2-4-23(18)30-24(19)20(13-17)25(29)34/h1-4,11-14,30,33H,5-10H2,(H2,29,34)
InChIKeyFUMBYOOTIHWMNZ-UHFFFAOYSA-N
MW511.41 g/mol
LogP4.14
Rot. Bonds5

About 3-(3,4-dichlorophenyl)-6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide

3-(3,4-dichlorophenyl)-6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide (PubChem CID 66605845) has the molecular formula C26H24Cl2N4O3 and a molecular weight of 511.41 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide
PubChem CID66605845
Molecular FormulaC26H24Cl2N4O3
Molecular Weight511.41 g/mol
Exact Mass510.12
IUPAC Name3-(3,4-dichlorophenyl)-6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide
SMILESNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)cc2c1[nH]c1ccc(C(=O)N3CCN(CCO)CC3)cc12
InChIInChI=1S/C26H24Cl2N4O3/c27-21-3-1-15(14-22(21)28)17-12-19-18-11-16(26(35)32-7-5-31(6-8-32)9-10-33)2-4-23(18)30-24(19)20(13-17)25(29)34/h1-4,11-14,30,33H,5-10H2,(H2,29,34)
InChIKeyFUMBYOOTIHWMNZ-UHFFFAOYSA-N
XLogP4.14
TPSA102.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.41
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dichlorophenyl)-6-[2-(hydroxymethyl)morpholine-4-carbonyl]-9H-carbazole-1-carboxamide
CID 66604875
7-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]-3-(3-methoxyphenyl)-9H-carbazole-1-carboxamide
CID 66605279
3-(3-fluoro-4-methoxyphenyl)-6-(4-hydroxypiperidine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 66604954
3-(3,4-dichlorophenyl)-7-methyl-9H-carbazole-1-carboxamide
CID 123332297
3-(3,5-dichloro-4-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
CID 66605846
CID 90383768
CID 90383768
3-(3-chloro-4-pyridinyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
CID 66605501
2-(3-chloro-4-fluorophenyl)-7-(4-methyl-1,4-diazepane-1-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604393
7-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66605216
4-[8-carbamoyl-6-[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-9H-carbazol-2-yl]piperazine-1-carboxylic acid
CID 66605357
7-(morpholine-4-carbonyl)-3-thiophen-3-yl-9H-carbazole-1-carboxamide
CID 66605414
(2-chloro-5-hydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 106501434

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide (CID 66605845) is 3-(3,4-dichlorophenyl)-6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide is NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)cc2c1[nH]c1ccc(C(=O)N3CCN(CCO)CC3)cc12.
What is the InChIKey of 3-(3,4-dichlorophenyl)-6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide?
The InChIKey is FUMBYOOTIHWMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2N4O3/c27-21-3-1-15(14-22(21)28)17-12-19-18-11-16(26(35)32-7-5-31(6-8-32)9-10-33)2-4-23(18)30-24(19)20(13-17)25(29)34/h1-4,11-14,30,33H,5-10H2,(H2,29,34).
What are the key properties of 3-(3,4-dichlorophenyl)-6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide?
3-(3,4-dichlorophenyl)-6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide has a molecular weight of 511.41 g/mol, XLogP of 4.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide is sourced from PubChem (CID 66605845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).