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

C25H23ClN4O2 — CID 122191230

IUPAC4-(3-chlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
SMILESCN1CCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)ccc(-c4cccc(Cl)c4)c23)CC1
InChIInChI=1S/C25H23ClN4O2/c1-29-9-11-30(12-10-29)25(32)16-5-6-19-21(14-16)28-23-20(24(27)31)8-7-18(22(19)23)15-3-2-4-17(26)13-15/h2-8,13-14,28H,9-12H2,1H3,(H2,27,31)
InChIKeyNIOSLIKRLDNTQN-UHFFFAOYSA-N
MW446.94 g/mol
LogP4.13
Rot. Bonds3

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

4-(3-chlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide (PubChem CID 122191230) has the molecular formula C25H23ClN4O2 and a molecular weight of 446.94 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
PubChem CID122191230
Molecular FormulaC25H23ClN4O2
Molecular Weight446.94 g/mol
Exact Mass446.15
IUPAC Name4-(3-chlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
SMILESCN1CCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)ccc(-c4cccc(Cl)c4)c23)CC1
InChIInChI=1S/C25H23ClN4O2/c1-29-9-11-30(12-10-29)25(32)16-5-6-19-21(14-16)28-23-20(24(27)31)8-7-18(22(19)23)15-3-2-4-17(26)13-15/h2-8,13-14,28H,9-12H2,1H3,(H2,27,31)
InChIKeyNIOSLIKRLDNTQN-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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide (CID 122191230) is 4-(3-chlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide is CN1CCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)ccc(-c4cccc(Cl)c4)c23)CC1.
What is the InChIKey of 4-(3-chlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
The InChIKey is NIOSLIKRLDNTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O2/c1-29-9-11-30(12-10-29)25(32)16-5-6-19-21(14-16)28-23-20(24(27)31)8-7-18(22(19)23)15-3-2-4-17(26)13-15/h2-8,13-14,28H,9-12H2,1H3,(H2,27,31).
What are the key properties of 4-(3-chlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
4-(3-chlorophenyl)-7-(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 4-(3-chlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 122191230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).