7-amino-4-[3-(5-tert-butyl-1-hydroxyisoindol-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide

C32H30N4O2 — CID 90761844

IUPAC7-amino-4-[3-(5-tert-butyl-1-hydroxyisoindol-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide
SMILESCc1c(-c2ccc(C(N)=O)c3[nH]c4cc(N)ccc4c23)cccc1-n1cc2cc(C(C)(C)C)ccc2c1O
InChIInChI=1S/C32H30N4O2/c1-17-21(23-12-13-25(30(34)37)29-28(23)24-11-9-20(33)15-26(24)35-29)6-5-7-27(17)36-16-18-14-19(32(2,3)4)8-10-22(18)31(36)38/h5-16,35,38H,33H2,1-4H3,(H2,34,37)
InChIKeySOIRIHXRSOEZDM-UHFFFAOYSA-N
MW502.62 g/mol
LogP6.92
Rot. Bonds3

About 7-amino-4-[3-(5-tert-butyl-1-hydroxyisoindol-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide

7-amino-4-[3-(5-tert-butyl-1-hydroxyisoindol-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide (PubChem CID 90761844) has the molecular formula C32H30N4O2 and a molecular weight of 502.62 g/mol. Its IUPAC name is 7-amino-4-[3-(5-tert-butyl-1-hydroxyisoindol-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name7-amino-4-[3-(5-tert-butyl-1-hydroxyisoindol-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide
PubChem CID90761844
Molecular FormulaC32H30N4O2
Molecular Weight502.62 g/mol
Exact Mass502.24
IUPAC Name7-amino-4-[3-(5-tert-butyl-1-hydroxyisoindol-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide
SMILESCc1c(-c2ccc(C(N)=O)c3[nH]c4cc(N)ccc4c23)cccc1-n1cc2cc(C(C)(C)C)ccc2c1O
InChIInChI=1S/C32H30N4O2/c1-17-21(23-12-13-25(30(34)37)29-28(23)24-11-9-20(33)15-26(24)35-29)6-5-7-27(17)36-16-18-14-19(32(2,3)4)8-10-22(18)31(36)38/h5-16,35,38H,33H2,1-4H3,(H2,34,37)
InChIKeySOIRIHXRSOEZDM-UHFFFAOYSA-N
XLogP6.92
TPSA110.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.62
LogP ≤ 56.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[N-[4-[[2-[(dimethylamino)methyl]pyrrol-1-yl]methyl]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indole-6-carboxylate
CID 137644825
methyl 2-hydroxy-3-[N-[4-[[2-[(4-methylpiperazin-1-yl)methyl]pyrrol-1-yl]methyl]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate
CID 137661156
7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(3-oxo-1H-isoindol-2-yl)phenyl]-9H-carbazole-1-carboxamide
CID 141622014
N-hydroxy-4-[[2-hydroxy-5-methyl-3-(3-nitroso-1H-indol-2-yl)indol-1-yl]methyl]benzamide
CID 156901829
methyl 3-[N-[3-[(dimethylamino)methyl]-1-methylindol-5-yl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indole-6-carboxylate
CID 145949662
methyl 3-[N-[3-[(dimethylamino)methyl]-1-ethylindol-5-yl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indole-6-carboxylate
CID 145949916
methyl 3-[N-[3-[(dimethylamino)methyl]-1-propan-2-ylindol-5-yl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indole-6-carboxylate
CID 145956768
methyl 2-hydroxy-3-[N-[4-[[2-[(4-methylpiperidin-1-yl)methyl]pyrrol-1-yl]methyl]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate
CID 137631501
(4-aminopiperidin-1-yl)-[5-(4-hydroxyphenyl)-6-(4-methylphenyl)-1H-indol-3-yl]methanone
CID 172449138
2-[2-(hydroxymethyl)-3-methoxyphenyl]-1-(1H-indol-6-yl)-7-methylbenzo[cd]indol-3-one
CID 163114827
2-[4-[(3S)-1-[4-[[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxymethyl]benzoyl]piperidin-3-yl]phenyl]indazole-7-carboxamide
CID 177651844
1-[3-(5-fluoro-3-oxo-1H-isoindol-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
CID 70650987

Frequently Asked Questions

What is the IUPAC name of 7-amino-4-[3-(5-tert-butyl-1-hydroxyisoindol-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide?
The IUPAC name of 7-amino-4-[3-(5-tert-butyl-1-hydroxyisoindol-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide (CID 90761844) is 7-amino-4-[3-(5-tert-butyl-1-hydroxyisoindol-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide.
What is the SMILES notation for 7-amino-4-[3-(5-tert-butyl-1-hydroxyisoindol-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide?
The canonical SMILES for 7-amino-4-[3-(5-tert-butyl-1-hydroxyisoindol-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide is Cc1c(-c2ccc(C(N)=O)c3[nH]c4cc(N)ccc4c23)cccc1-n1cc2cc(C(C)(C)C)ccc2c1O.
What is the InChIKey of 7-amino-4-[3-(5-tert-butyl-1-hydroxyisoindol-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide?
The InChIKey is SOIRIHXRSOEZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N4O2/c1-17-21(23-12-13-25(30(34)37)29-28(23)24-11-9-20(33)15-26(24)35-29)6-5-7-27(17)36-16-18-14-19(32(2,3)4)8-10-22(18)31(36)38/h5-16,35,38H,33H2,1-4H3,(H2,34,37).
What are the key properties of 7-amino-4-[3-(5-tert-butyl-1-hydroxyisoindol-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide?
7-amino-4-[3-(5-tert-butyl-1-hydroxyisoindol-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide has a molecular weight of 502.62 g/mol, XLogP of 6.92, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-[3-(5-tert-butyl-1-hydroxyisoindol-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide is sourced from PubChem (CID 90761844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).