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

C25H22Cl2N4O2 — CID 122191236

IUPAC4-(3,4-dichlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
SMILESCN1CCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)ccc(-c4ccc(Cl)c(Cl)c4)c23)CC1
InChIInChI=1S/C25H22Cl2N4O2/c1-30-8-10-31(11-9-30)25(33)15-2-4-17-21(13-15)29-23-18(24(28)32)6-5-16(22(17)23)14-3-7-19(26)20(27)12-14/h2-7,12-13,29H,8-11H2,1H3,(H2,28,32)
InChIKeyBBSHPCQHLGNIMC-UHFFFAOYSA-N
MW481.38 g/mol
LogP4.78
Rot. Bonds3

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

4-(3,4-dichlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide (PubChem CID 122191236) has the molecular formula C25H22Cl2N4O2 and a molecular weight of 481.38 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
PubChem CID122191236
Molecular FormulaC25H22Cl2N4O2
Molecular Weight481.38 g/mol
Exact Mass480.11
IUPAC Name4-(3,4-dichlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
SMILESCN1CCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)ccc(-c4ccc(Cl)c(Cl)c4)c23)CC1
InChIInChI=1S/C25H22Cl2N4O2/c1-30-8-10-31(11-9-30)25(33)15-2-4-17-21(13-15)29-23-18(24(28)32)6-5-16(22(17)23)14-3-7-19(26)20(27)12-14/h2-7,12-13,29H,8-11H2,1H3,(H2,28,32)
InChIKeyBBSHPCQHLGNIMC-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 4-(3,4-dichlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
The IUPAC name of 4-(3,4-dichlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide (CID 122191236) is 4-(3,4-dichlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
The canonical SMILES for 4-(3,4-dichlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide is CN1CCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)ccc(-c4ccc(Cl)c(Cl)c4)c23)CC1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
The InChIKey is BBSHPCQHLGNIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2N4O2/c1-30-8-10-31(11-9-30)25(33)15-2-4-17-21(13-15)29-23-18(24(28)32)6-5-16(22(17)23)14-3-7-19(26)20(27)12-14/h2-7,12-13,29H,8-11H2,1H3,(H2,28,32).
What are the key properties of 4-(3,4-dichlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
4-(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 4-(3,4-dichlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 122191236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).