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

C26H26N4O3 — CID 122191224

IUPAC4-(3-methoxyphenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
SMILESCOc1cccc(-c2ccc(C(N)=O)c3[nH]c4cc(C(=O)N5CCN(C)CC5)ccc4c23)c1
InChIInChI=1S/C26H26N4O3/c1-29-10-12-30(13-11-29)26(32)17-6-7-20-22(15-17)28-24-21(25(27)31)9-8-19(23(20)24)16-4-3-5-18(14-16)33-2/h3-9,14-15,28H,10-13H2,1-2H3,(H2,27,31)
InChIKeyLDTJXMZCPRCCMG-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.48
Rot. Bonds4

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

4-(3-methoxyphenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide (PubChem CID 122191224) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
PubChem CID122191224
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC Name4-(3-methoxyphenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
SMILESCOc1cccc(-c2ccc(C(N)=O)c3[nH]c4cc(C(=O)N5CCN(C)CC5)ccc4c23)c1
InChIInChI=1S/C26H26N4O3/c1-29-10-12-30(13-11-29)26(32)17-6-7-20-22(15-17)28-24-21(25(27)31)9-8-19(23(20)24)16-4-3-5-18(14-16)33-2/h3-9,14-15,28H,10-13H2,1-2H3,(H2,27,31)
InChIKeyLDTJXMZCPRCCMG-UHFFFAOYSA-N
XLogP3.48
TPSA91.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
The IUPAC name of 4-(3-methoxyphenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide (CID 122191224) is 4-(3-methoxyphenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide.
What is the SMILES notation for 4-(3-methoxyphenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
The canonical SMILES for 4-(3-methoxyphenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide is COc1cccc(-c2ccc(C(N)=O)c3[nH]c4cc(C(=O)N5CCN(C)CC5)ccc4c23)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
The InChIKey is LDTJXMZCPRCCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-29-10-12-30(13-11-29)26(32)17-6-7-20-22(15-17)28-24-21(25(27)31)9-8-19(23(20)24)16-4-3-5-18(14-16)33-2/h3-9,14-15,28H,10-13H2,1-2H3,(H2,27,31).
What are the key properties of 4-(3-methoxyphenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
4-(3-methoxyphenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 122191224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).