3-(3-chlorophenyl)-7-(4-methylpiperazin-1-yl)-9H-carbazole-1-carboxamide

C24H23ClN4O — CID 66605487

IUPAC3-(3-chlorophenyl)-7-(4-methylpiperazin-1-yl)-9H-carbazole-1-carboxamide
SMILESCN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(-c4cccc(Cl)c4)cc23)CC1
InChIInChI=1S/C24H23ClN4O/c1-28-7-9-29(10-8-28)18-5-6-19-20-12-16(15-3-2-4-17(25)11-15)13-21(24(26)30)23(20)27-22(19)14-18/h2-6,11-14,27H,7-10H2,1H3,(H2,26,30)
InChIKeySIAGQGTWMHKSDK-UHFFFAOYSA-N
MW418.93 g/mol
LogP4.49
Rot. Bonds3

About 3-(3-chlorophenyl)-7-(4-methylpiperazin-1-yl)-9H-carbazole-1-carboxamide

3-(3-chlorophenyl)-7-(4-methylpiperazin-1-yl)-9H-carbazole-1-carboxamide (PubChem CID 66605487) has the molecular formula C24H23ClN4O and a molecular weight of 418.93 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-7-(4-methylpiperazin-1-yl)-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-7-(4-methylpiperazin-1-yl)-9H-carbazole-1-carboxamide
PubChem CID66605487
Molecular FormulaC24H23ClN4O
Molecular Weight418.93 g/mol
Exact Mass418.16
IUPAC Name3-(3-chlorophenyl)-7-(4-methylpiperazin-1-yl)-9H-carbazole-1-carboxamide
SMILESCN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(-c4cccc(Cl)c4)cc23)CC1
InChIInChI=1S/C24H23ClN4O/c1-28-7-9-29(10-8-28)18-5-6-19-20-12-16(15-3-2-4-17(25)11-15)13-21(24(26)30)23(20)27-22(19)14-18/h2-6,11-14,27H,7-10H2,1H3,(H2,26,30)
InChIKeySIAGQGTWMHKSDK-UHFFFAOYSA-N
XLogP4.49
TPSA65.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.93
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Org27569
CID 44828492
4-[(3S)-3-(but-2-ynoylamino)piperidin-1-yl]-2,3-dimethyl-1H-indole-7-carboxamide
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Indolyl quinolinone deriv. 10
CID 5329376
Indolyl quinolinone deriv. 11
CID 5329377
2-phenyl-4-[[(3~{S})-piperidin-3-yl]amino]-1~{H}-indole-7-carboxamide
CID 11952264
5-Chloro-21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,15,17,19-heptaen-14-one
CID 56967253
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
CID 56967987
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
2-oxo-3-(5-(piperidin-1-ylmethyl)-1H-indol-2-yl)-1,2-dihydroquinoline-6-carboxamide
CID 44419941
3-(3-chlorophenyl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
CID 66604890
3-(4-chlorophenyl)-6-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 66604914

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-7-(4-methylpiperazin-1-yl)-9H-carbazole-1-carboxamide?
The IUPAC name of 3-(3-chlorophenyl)-7-(4-methylpiperazin-1-yl)-9H-carbazole-1-carboxamide (CID 66605487) is 3-(3-chlorophenyl)-7-(4-methylpiperazin-1-yl)-9H-carbazole-1-carboxamide.
What is the SMILES notation for 3-(3-chlorophenyl)-7-(4-methylpiperazin-1-yl)-9H-carbazole-1-carboxamide?
The canonical SMILES for 3-(3-chlorophenyl)-7-(4-methylpiperazin-1-yl)-9H-carbazole-1-carboxamide is CN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(-c4cccc(Cl)c4)cc23)CC1.
What is the InChIKey of 3-(3-chlorophenyl)-7-(4-methylpiperazin-1-yl)-9H-carbazole-1-carboxamide?
The InChIKey is SIAGQGTWMHKSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O/c1-28-7-9-29(10-8-28)18-5-6-19-20-12-16(15-3-2-4-17(25)11-15)13-21(24(26)30)23(20)27-22(19)14-18/h2-6,11-14,27H,7-10H2,1H3,(H2,26,30).
What are the key properties of 3-(3-chlorophenyl)-7-(4-methylpiperazin-1-yl)-9H-carbazole-1-carboxamide?
3-(3-chlorophenyl)-7-(4-methylpiperazin-1-yl)-9H-carbazole-1-carboxamide has a molecular weight of 418.93 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-7-(4-methylpiperazin-1-yl)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 66605487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).