3-(3-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide

C26H26N4O3 — CID 66605756

IUPAC3-(3-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
SMILESCOc1cccc(-c2cc(C(N)=O)c3[nH]c4ccc(C(=O)N5CCN(C)CC5)cc4c3c2)c1
InChIInChI=1S/C26H26N4O3/c1-29-8-10-30(11-9-29)26(32)17-6-7-23-20(13-17)21-14-18(15-22(25(27)31)24(21)28-23)16-4-3-5-19(12-16)33-2/h3-7,12-15,28H,8-11H2,1-2H3,(H2,27,31)
InChIKeyYVYPLXQTNBRTDY-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.48
Rot. Bonds4

About 3-(3-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide

3-(3-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide (PubChem CID 66605756) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
PubChem CID66605756
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC Name3-(3-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
SMILESCOc1cccc(-c2cc(C(N)=O)c3[nH]c4ccc(C(=O)N5CCN(C)CC5)cc4c3c2)c1
InChIInChI=1S/C26H26N4O3/c1-29-8-10-30(11-9-29)26(32)17-6-7-23-20(13-17)21-14-18(15-22(25(27)31)24(21)28-23)16-4-3-5-19(12-16)33-2/h3-7,12-15,28H,8-11H2,1-2H3,(H2,27,31)
InChIKeyYVYPLXQTNBRTDY-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 3-(3-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide (CID 66605756) is 3-(3-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide is COc1cccc(-c2cc(C(N)=O)c3[nH]c4ccc(C(=O)N5CCN(C)CC5)cc4c3c2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
The InChIKey is YVYPLXQTNBRTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-29-8-10-30(11-9-29)26(32)17-6-7-23-20(13-17)21-14-18(15-22(25(27)31)24(21)28-23)16-4-3-5-19(12-16)33-2/h3-7,12-15,28H,8-11H2,1-2H3,(H2,27,31).
What are the key properties of 3-(3-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
3-(3-methoxyphenyl)-6-(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 3-(3-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 66605756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).