3-(3,4-dichlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide

C25H22Cl2N4O2 — CID 66606401

IUPAC3-(3,4-dichlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
SMILESCN1CCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)cc(-c4ccc(Cl)c(Cl)c4)cc23)CC1
InChIInChI=1S/C25H22Cl2N4O2/c1-30-6-8-31(9-7-30)25(33)15-2-4-17-18-10-16(14-3-5-20(26)21(27)12-14)11-19(24(28)32)23(18)29-22(17)13-15/h2-5,10-13,29H,6-9H2,1H3,(H2,28,32)
InChIKeyYTPYBCDEIOVHHS-UHFFFAOYSA-N
MW481.38 g/mol
LogP4.78
Rot. Bonds3

About 3-(3,4-dichlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide

3-(3,4-dichlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide (PubChem CID 66606401) has the molecular formula C25H22Cl2N4O2 and a molecular weight of 481.38 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
PubChem CID66606401
Molecular FormulaC25H22Cl2N4O2
Molecular Weight481.38 g/mol
Exact Mass480.11
IUPAC Name3-(3,4-dichlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
SMILESCN1CCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)cc(-c4ccc(Cl)c(Cl)c4)cc23)CC1
InChIInChI=1S/C25H22Cl2N4O2/c1-30-6-8-31(9-7-30)25(33)15-2-4-17-18-10-16(14-3-5-20(26)21(27)12-14)11-19(24(28)32)23(18)29-22(17)13-15/h2-5,10-13,29H,6-9H2,1H3,(H2,28,32)
InChIKeyYTPYBCDEIOVHHS-UHFFFAOYSA-N
XLogP4.78
TPSA82.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.38
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide (CID 66606401) is 3-(3,4-dichlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide is CN1CCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)cc(-c4ccc(Cl)c(Cl)c4)cc23)CC1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
The InChIKey is YTPYBCDEIOVHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2N4O2/c1-30-6-8-31(9-7-30)25(33)15-2-4-17-18-10-16(14-3-5-20(26)21(27)12-14)11-19(24(28)32)23(18)29-22(17)13-15/h2-5,10-13,29H,6-9H2,1H3,(H2,28,32).
What are the key properties of 3-(3,4-dichlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
3-(3,4-dichlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide has a molecular weight of 481.38 g/mol, XLogP of 4.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 66606401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).