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

C25H23ClN4O2 — CID 122191232

IUPAC4-(4-chlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
SMILESCN1CCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)ccc(-c4ccc(Cl)cc4)c23)CC1
InChIInChI=1S/C25H23ClN4O2/c1-29-10-12-30(13-11-29)25(32)16-4-7-19-21(14-16)28-23-20(24(27)31)9-8-18(22(19)23)15-2-5-17(26)6-3-15/h2-9,14,28H,10-13H2,1H3,(H2,27,31)
InChIKeyJKHUENADKCGKQX-UHFFFAOYSA-N
MW446.94 g/mol
LogP4.13
Rot. Bonds3

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

4-(4-chlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide (PubChem CID 122191232) has the molecular formula C25H23ClN4O2 and a molecular weight of 446.94 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
PubChem CID122191232
Molecular FormulaC25H23ClN4O2
Molecular Weight446.94 g/mol
Exact Mass446.15
IUPAC Name4-(4-chlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
SMILESCN1CCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)ccc(-c4ccc(Cl)cc4)c23)CC1
InChIInChI=1S/C25H23ClN4O2/c1-29-10-12-30(13-11-29)25(32)16-4-7-19-21(14-16)28-23-20(24(27)31)9-8-18(22(19)23)15-2-5-17(26)6-3-15/h2-9,14,28H,10-13H2,1H3,(H2,27,31)
InChIKeyJKHUENADKCGKQX-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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Related Compounds

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Indolyl quinolinone deriv. 10
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N-{8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octyl}-1H-indole-3-carboxamide
CID 11272051
N-{6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl}-1H-indole-3-carboxamide
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N-{7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl}-1H-indole-3-carboxamide
CID 11465956
N-{5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl}-1H-indole-3-carboxamide
CID 11669798
17-Chloro-21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15(20),16,18-heptaen-14-one
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3-(3,4-Dichlorophenyl)-6-(Morpholin-4-Ylcarbonyl)-9h-Carbazole-1-Carboxamide
CID 66604359
4-(2-Chlorophenyl)-7-[(4-Methylpiperazin-1-Yl)carbonyl]-9h-Carbazole-1-Carboxamide
CID 91885524
3-chloro-N-((1R,2S)-2-(4-(2-oxopyrazin-1(2H)-yl)benzamido)cyclohexyl)-1H-indole-6-carboxamide
CID 44432527
3-(3-chlorophenyl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
CID 66604890
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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide (CID 122191232) is 4-(4-chlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide is CN1CCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)ccc(-c4ccc(Cl)cc4)c23)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
The InChIKey is JKHUENADKCGKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O2/c1-29-10-12-30(13-11-29)25(32)16-4-7-19-21(14-16)28-23-20(24(27)31)9-8-18(22(19)23)15-2-5-17(26)6-3-15/h2-9,14,28H,10-13H2,1H3,(H2,27,31).
What are the key properties of 4-(4-chlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
4-(4-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-(4-chlorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 122191232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).