4-(4-quinolin-3-ylcarbazol-9-yl)-2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzamide

C38H38N4O — CID 58338310

IUPAC4-(4-quinolin-3-ylcarbazol-9-yl)-2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzamide
SMILESCC1(C)CC(Nc2cc(-n3c4ccccc4c4c(-c5cnc6ccccc6c5)cccc43)ccc2C(N)=O)CC(C)(C)C1
InChIInChI=1S/C38H38N4O/c1-37(2)20-26(21-38(3,4)23-37)41-32-19-27(16-17-29(32)36(39)43)42-33-14-8-6-11-30(33)35-28(12-9-15-34(35)42)25-18-24-10-5-7-13-31(24)40-22-25/h5-19,22,26,41H,20-21,23H2,1-4H3,(H2,39,43)
InChIKeyLDMHPMBZRHHSMC-UHFFFAOYSA-N
MW566.75 g/mol
LogP9.11
Rot. Bonds5

About 4-(4-quinolin-3-ylcarbazol-9-yl)-2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzamide

4-(4-quinolin-3-ylcarbazol-9-yl)-2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzamide (PubChem CID 58338310) has the molecular formula C38H38N4O and a molecular weight of 566.75 g/mol. Its IUPAC name is 4-(4-quinolin-3-ylcarbazol-9-yl)-2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzamide.

Molecular Properties

Compound Name4-(4-quinolin-3-ylcarbazol-9-yl)-2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzamide
PubChem CID58338310
Molecular FormulaC38H38N4O
Molecular Weight566.75 g/mol
Exact Mass566.30
IUPAC Name4-(4-quinolin-3-ylcarbazol-9-yl)-2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzamide
SMILESCC1(C)CC(Nc2cc(-n3c4ccccc4c4c(-c5cnc6ccccc6c5)cccc43)ccc2C(N)=O)CC(C)(C)C1
InChIInChI=1S/C38H38N4O/c1-37(2)20-26(21-38(3,4)23-37)41-32-19-27(16-17-29(32)36(39)43)42-33-14-8-6-11-30(33)35-28(12-9-15-34(35)42)25-18-24-10-5-7-13-31(24)40-22-25/h5-19,22,26,41H,20-21,23H2,1-4H3,(H2,39,43)
InChIKeyLDMHPMBZRHHSMC-UHFFFAOYSA-N
XLogP9.11
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.75
LogP ≤ 59.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(4-quinolin-3-ylcarbazol-9-yl)-2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzamide with MolForge

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Related Compounds

2-(piperidin-4-ylamino)-4-(4-quinolin-3-ylcarbazol-9-yl)benzamide
CID 58338230
2-[1-(1-methylimidazol-4-yl)ethylamino]-4-(4-quinolin-3-ylcarbazol-9-yl)benzamide
CID 67307881
3-[(2-hydroxy-2-methylpropyl)amino]-5-(4-quinolin-3-ylcarbazol-9-yl)pyridine-2-carboxamide
CID 58338206
5-(4-quinolin-3-ylcarbazol-9-yl)pyridine-2-carbaldehyde
CID 143871523
2-[(4-hydroxycyclohexyl)amino]-4-(4-quinolin-3-ylpyrrolo[2,3-b]pyridin-1-yl)benzamide
CID 67500945
4-[4-(6-cyano-3-pyridinyl)carbazol-9-yl]-2-(oxan-4-ylamino)benzoic acid
CID 67308120
4-(3-methyl-4-quinolin-3-ylindazol-1-yl)-2-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-ylmethylamino)benzamide
CID 90717811
4-(3-methyl-4-quinolin-3-ylindazol-1-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]benzonitrile
CID 66680661
4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-[[(1S,2R)-2-(hydroxymethyl)cyclopentyl]amino]benzamide
CID 58338322
2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]amino]-4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]benzamide
CID 58338185
2-aminoacetic acid;3-(cyclohexylamino)-5-(4-quinolin-3-ylcarbazol-9-yl)-1,2-dihydropyridine-2-carboxamide
CID 143871476
[4-[2-carbamoyl-5-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]anilino]cyclohexyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 58338325

Frequently Asked Questions

What is the IUPAC name of 4-(4-quinolin-3-ylcarbazol-9-yl)-2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzamide?
The IUPAC name of 4-(4-quinolin-3-ylcarbazol-9-yl)-2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzamide (CID 58338310) is 4-(4-quinolin-3-ylcarbazol-9-yl)-2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzamide.
What is the SMILES notation for 4-(4-quinolin-3-ylcarbazol-9-yl)-2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzamide?
The canonical SMILES for 4-(4-quinolin-3-ylcarbazol-9-yl)-2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzamide is CC1(C)CC(Nc2cc(-n3c4ccccc4c4c(-c5cnc6ccccc6c5)cccc43)ccc2C(N)=O)CC(C)(C)C1.
What is the InChIKey of 4-(4-quinolin-3-ylcarbazol-9-yl)-2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzamide?
The InChIKey is LDMHPMBZRHHSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38N4O/c1-37(2)20-26(21-38(3,4)23-37)41-32-19-27(16-17-29(32)36(39)43)42-33-14-8-6-11-30(33)35-28(12-9-15-34(35)42)25-18-24-10-5-7-13-31(24)40-22-25/h5-19,22,26,41H,20-21,23H2,1-4H3,(H2,39,43).
What are the key properties of 4-(4-quinolin-3-ylcarbazol-9-yl)-2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzamide?
4-(4-quinolin-3-ylcarbazol-9-yl)-2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzamide has a molecular weight of 566.75 g/mol, XLogP of 9.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-quinolin-3-ylcarbazol-9-yl)-2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzamide is sourced from PubChem (CID 58338310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).