7-hydroxy-4-[3-(1-hydroxyisoindol-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide

C28H21N3O3 — CID 91392090

IUPAC7-hydroxy-4-[3-(1-hydroxyisoindol-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide
SMILESCc1c(-c2ccc(C(N)=O)c3[nH]c4cc(O)ccc4c23)cccc1-n1cc2ccccc2c1O
InChIInChI=1S/C28H21N3O3/c1-15-18(7-4-8-24(15)31-14-16-5-2-3-6-19(16)28(31)34)20-11-12-22(27(29)33)26-25(20)21-10-9-17(32)13-23(21)30-26/h2-14,30,32,34H,1H3,(H2,29,33)
InChIKeyLJQVPFNQRMBPDL-UHFFFAOYSA-N
MW447.49 g/mol
LogP5.75
Rot. Bonds3

About 7-hydroxy-4-[3-(1-hydroxyisoindol-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide

7-hydroxy-4-[3-(1-hydroxyisoindol-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide (PubChem CID 91392090) has the molecular formula C28H21N3O3 and a molecular weight of 447.49 g/mol. Its IUPAC name is 7-hydroxy-4-[3-(1-hydroxyisoindol-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name7-hydroxy-4-[3-(1-hydroxyisoindol-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide
PubChem CID91392090
Molecular FormulaC28H21N3O3
Molecular Weight447.49 g/mol
Exact Mass447.16
IUPAC Name7-hydroxy-4-[3-(1-hydroxyisoindol-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide
SMILESCc1c(-c2ccc(C(N)=O)c3[nH]c4cc(O)ccc4c23)cccc1-n1cc2ccccc2c1O
InChIInChI=1S/C28H21N3O3/c1-15-18(7-4-8-24(15)31-14-16-5-2-3-6-19(16)28(31)34)20-11-12-22(27(29)33)26-25(20)21-10-9-17(32)13-23(21)30-26/h2-14,30,32,34H,1H3,(H2,29,33)
InChIKeyLJQVPFNQRMBPDL-UHFFFAOYSA-N
XLogP5.75
TPSA104.27 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.49
LogP ≤ 55.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-[3-(1-hydroxyisoindol-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide?
The IUPAC name of 7-hydroxy-4-[3-(1-hydroxyisoindol-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide (CID 91392090) is 7-hydroxy-4-[3-(1-hydroxyisoindol-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide.
What is the SMILES notation for 7-hydroxy-4-[3-(1-hydroxyisoindol-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide?
The canonical SMILES for 7-hydroxy-4-[3-(1-hydroxyisoindol-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide is Cc1c(-c2ccc(C(N)=O)c3[nH]c4cc(O)ccc4c23)cccc1-n1cc2ccccc2c1O.
What is the InChIKey of 7-hydroxy-4-[3-(1-hydroxyisoindol-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide?
The InChIKey is LJQVPFNQRMBPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3O3/c1-15-18(7-4-8-24(15)31-14-16-5-2-3-6-19(16)28(31)34)20-11-12-22(27(29)33)26-25(20)21-10-9-17(32)13-23(21)30-26/h2-14,30,32,34H,1H3,(H2,29,33).
What are the key properties of 7-hydroxy-4-[3-(1-hydroxyisoindol-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide?
7-hydroxy-4-[3-(1-hydroxyisoindol-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide has a molecular weight of 447.49 g/mol, XLogP of 5.75, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-[3-(1-hydroxyisoindol-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide is sourced from PubChem (CID 91392090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).