3-(4-chlorophenyl)-6-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide

C25H23ClN4O2 — CID 66604914

IUPAC3-(4-chlorophenyl)-6-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
SMILESCN1CCN(C(=O)c2ccc3[nH]c4c(C(N)=O)cc(-c5ccc(Cl)cc5)cc4c3c2)CC1
InChIInChI=1S/C25H23ClN4O2/c1-29-8-10-30(11-9-29)25(32)16-4-7-22-19(12-16)20-13-17(15-2-5-18(26)6-3-15)14-21(24(27)31)23(20)28-22/h2-7,12-14,28H,8-11H2,1H3,(H2,27,31)
InChIKeyDZUSPKFBRQRYNR-UHFFFAOYSA-N
MW446.94 g/mol
LogP4.13
Rot. Bonds3

About 3-(4-chlorophenyl)-6-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide

3-(4-chlorophenyl)-6-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide (PubChem CID 66604914) has the molecular formula C25H23ClN4O2 and a molecular weight of 446.94 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
PubChem CID66604914
Molecular FormulaC25H23ClN4O2
Molecular Weight446.94 g/mol
Exact Mass446.15
IUPAC Name3-(4-chlorophenyl)-6-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
SMILESCN1CCN(C(=O)c2ccc3[nH]c4c(C(N)=O)cc(-c5ccc(Cl)cc5)cc4c3c2)CC1
InChIInChI=1S/C25H23ClN4O2/c1-29-8-10-30(11-9-29)25(32)16-4-7-22-19(12-16)20-13-17(15-2-5-18(26)6-3-15)14-21(24(27)31)23(20)28-22/h2-7,12-14,28H,8-11H2,1H3,(H2,27,31)
InChIKeyDZUSPKFBRQRYNR-UHFFFAOYSA-N
XLogP4.13
TPSA82.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.94
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenyl)-6-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-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

Indibulin
CID 2929
Jnj-7777120
CID 4908365
Rhetsinine
CID 99652
Org27569
CID 44828492
N-(3-(benzyl(methyl)amino)propyl)-9-chloro-5,6,7,8-tetrahydroacridine-2-carboxamide
CID 73349008
3-Chloro-N-((1R,2S)-2-(4-(2-oxopyridin-1(2H)-YL)benzamido)cyclohexyl)-1H-indole-6-carboxamide
CID 11237163
4-[(3S)-3-(but-2-ynoylamino)piperidin-1-yl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 121293916
1-(2-((4-Chlorophenyl)amino)-2-oxoethyl)-N-(1-isopropylpiperidin-4-YL)-1H-indole-2-carboxamide
CID 6540268
Evodiamine, derivative of
CID 156372
Indolyl quinolinone deriv. 10
CID 5329376
Indolyl quinolinone deriv. 11
CID 5329377
Indolyl quinolinone deriv. 12
CID 5329378

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-6-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide (CID 66604914) is 3-(4-chlorophenyl)-6-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-6-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-6-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide is CN1CCN(C(=O)c2ccc3[nH]c4c(C(N)=O)cc(-c5ccc(Cl)cc5)cc4c3c2)CC1.
What is the InChIKey of 3-(4-chlorophenyl)-6-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
The InChIKey is DZUSPKFBRQRYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O2/c1-29-8-10-30(11-9-29)25(32)16-4-7-22-19(12-16)20-13-17(15-2-5-18(26)6-3-15)14-21(24(27)31)23(20)28-22/h2-7,12-14,28H,8-11H2,1H3,(H2,27,31).
What are the key properties of 3-(4-chlorophenyl)-6-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
3-(4-chlorophenyl)-6-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide has a molecular weight of 446.94 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 66604914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).