4-(3-anilino-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide

C29H27N3O2 — CID 130362597

IUPAC4-(3-anilino-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide
SMILESCc1c(Nc2ccccc2)cccc1-c1ccc(C(N)=O)c2[nH]c3cc(C(C)(C)O)ccc3c12
InChIInChI=1S/C29H27N3O2/c1-17-20(10-7-11-24(17)31-19-8-5-4-6-9-19)21-14-15-23(28(30)33)27-26(21)22-13-12-18(29(2,3)34)16-25(22)32-27/h4-16,31-32,34H,1-3H3,(H2,30,33)
InChIKeyFYWOZHJIJSPAKZ-UHFFFAOYSA-N
MW449.55 g/mol
LogP6.37
Rot. Bonds5

About 4-(3-anilino-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide

4-(3-anilino-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide (PubChem CID 130362597) has the molecular formula C29H27N3O2 and a molecular weight of 449.55 g/mol. Its IUPAC name is 4-(3-anilino-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name4-(3-anilino-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide
PubChem CID130362597
Molecular FormulaC29H27N3O2
Molecular Weight449.55 g/mol
Exact Mass449.21
IUPAC Name4-(3-anilino-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide
SMILESCc1c(Nc2ccccc2)cccc1-c1ccc(C(N)=O)c2[nH]c3cc(C(C)(C)O)ccc3c12
InChIInChI=1S/C29H27N3O2/c1-17-20(10-7-11-24(17)31-19-8-5-4-6-9-19)21-14-15-23(28(30)33)27-26(21)22-13-12-18(29(2,3)34)16-25(22)32-27/h4-16,31-32,34H,1-3H3,(H2,30,33)
InChIKeyFYWOZHJIJSPAKZ-UHFFFAOYSA-N
XLogP6.37
TPSA91.14 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.55
LogP ≤ 56.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[(7-fluoroquinazolin-4-yl)amino]-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide
CID 141365987
4-[3-(3,4-dimethyl-2-oxopyrrolidin-1-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide
CID 59375151
4-[3-(7-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide
CID 141366090
4-[2-methyl-3-[(2-methyl-2-phenylpropanoyl)amino]phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 141366107
4-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide
CID 141366015
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
4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-N-(3-methoxyphenyl)-9H-carbazole-1,7-dicarboxamide
CID 141366023
7-(2-hydroxypropan-2-yl)-4-[4-[(2-methyl-3-oxopropyl)amino]phenyl]-9H-carbazole-1-carboxamide
CID 175009357
7-(2-hydroxypropan-2-yl)-4-[3-[methyl(prop-2-enoyl)amino]phenyl]-9H-carbazole-1-carboxamide
CID 130362292
7-(cyclopentylmethylamino)-4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-9H-carbazole-1-carboxamide
CID 141366153
8-carbamoyl-5-(2-fluorophenyl)-9H-carbazole-2-carboxylic acid
CID 59375023
4-[2-(aminomethyl)-3-[(4-fluorobenzoyl)amino]phenyl]-9H-carbazole-1,7-dicarboxamide
CID 174734483

Frequently Asked Questions

What is the IUPAC name of 4-(3-anilino-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide?
The IUPAC name of 4-(3-anilino-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide (CID 130362597) is 4-(3-anilino-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide.
What is the SMILES notation for 4-(3-anilino-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide?
The canonical SMILES for 4-(3-anilino-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide is Cc1c(Nc2ccccc2)cccc1-c1ccc(C(N)=O)c2[nH]c3cc(C(C)(C)O)ccc3c12.
What is the InChIKey of 4-(3-anilino-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide?
The InChIKey is FYWOZHJIJSPAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O2/c1-17-20(10-7-11-24(17)31-19-8-5-4-6-9-19)21-14-15-23(28(30)33)27-26(21)22-13-12-18(29(2,3)34)16-25(22)32-27/h4-16,31-32,34H,1-3H3,(H2,30,33).
What are the key properties of 4-(3-anilino-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide?
4-(3-anilino-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide has a molecular weight of 449.55 g/mol, XLogP of 6.37, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-anilino-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 130362597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).