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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Related Compounds

7-amino-4-[3-(5-tert-butyl-1-hydroxyisoindol-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide
CID 90761844
3-N,3-N-dimethyl-5-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-pyrido[3,4-b]indole-3,8-dicarboxamide
CID 70652011
4-[3-(7-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide
CID 141366090
4-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide
CID 141366015
4-[3-(8-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-(methanesulfinamidomethyl)-9H-carbazole-1-carboxamide
CID 141366359
4-(3-anilino-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide
CID 130362597
4-[3-(3,4-dimethyl-2-oxopyrrolidin-1-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide
CID 59375151
benzyl N-[8-carbamoyl-5-[2-methyl-3-(3-oxo-1H-isoindol-2-yl)phenyl]-9H-carbazol-2-yl]carbamate
CID 59374998
8-carbamoyl-5-(2-fluorophenyl)-9H-carbazole-2-carboxylic acid
CID 59375023
ethyl 8-carbamoyl-5-(2-fluorophenyl)-9H-carbazole-2-carboxylate
CID 59375158
4-[3-(6-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide
CID 162646229
3-(hydroxymethyl)-5-[3-(4-hydroxy-4H-quinazolin-3-yl)-2-methylphenyl]-9H-pyrido[3,4-b]indole-8-carboxamide
CID 123373995

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).