2-(piperidin-4-ylamino)-4-(4-quinolin-3-ylcarbazol-9-yl)benzamide

C33H29N5O — CID 58338230

IUPAC2-(piperidin-4-ylamino)-4-(4-quinolin-3-ylcarbazol-9-yl)benzamide
SMILESNC(=O)c1ccc(-n2c3ccccc3c3c(-c4cnc5ccccc5c4)cccc32)cc1NC1CCNCC1
InChIInChI=1S/C33H29N5O/c34-33(39)26-13-12-24(19-29(26)37-23-14-16-35-17-15-23)38-30-10-4-2-7-27(30)32-25(8-5-11-31(32)38)22-18-21-6-1-3-9-28(21)36-20-22/h1-13,18-20,23,35,37H,14-17H2,(H2,34,39)
InChIKeyDIHDGZCZJHREFS-UHFFFAOYSA-N
MW511.63 g/mol
LogP6.26
Rot. Bonds5

About 2-(piperidin-4-ylamino)-4-(4-quinolin-3-ylcarbazol-9-yl)benzamide

2-(piperidin-4-ylamino)-4-(4-quinolin-3-ylcarbazol-9-yl)benzamide (PubChem CID 58338230) has the molecular formula C33H29N5O and a molecular weight of 511.63 g/mol. Its IUPAC name is 2-(piperidin-4-ylamino)-4-(4-quinolin-3-ylcarbazol-9-yl)benzamide.

Molecular Properties

Compound Name2-(piperidin-4-ylamino)-4-(4-quinolin-3-ylcarbazol-9-yl)benzamide
PubChem CID58338230
Molecular FormulaC33H29N5O
Molecular Weight511.63 g/mol
Exact Mass511.24
IUPAC Name2-(piperidin-4-ylamino)-4-(4-quinolin-3-ylcarbazol-9-yl)benzamide
SMILESNC(=O)c1ccc(-n2c3ccccc3c3c(-c4cnc5ccccc5c4)cccc32)cc1NC1CCNCC1
InChIInChI=1S/C33H29N5O/c34-33(39)26-13-12-24(19-29(26)37-23-14-16-35-17-15-23)38-30-10-4-2-7-27(30)32-25(8-5-11-31(32)38)22-18-21-6-1-3-9-28(21)36-20-22/h1-13,18-20,23,35,37H,14-17H2,(H2,34,39)
InChIKeyDIHDGZCZJHREFS-UHFFFAOYSA-N
XLogP6.26
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.63
LogP ≤ 56.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-quinolin-3-ylcarbazol-9-yl)-2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzamide
CID 58338310
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
2-[(4-hydroxycyclohexyl)amino]-4-(4-quinolin-3-ylpyrrolo[2,3-b]pyridin-1-yl)benzamide
CID 67500945
4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-[[(1S,2R)-2-(hydroxymethyl)cyclopentyl]amino]benzamide
CID 58338322
5-(4-quinolin-3-ylcarbazol-9-yl)pyridine-2-carbaldehyde
CID 143871523
4-[4-(6-cyano-3-pyridinyl)carbazol-9-yl]-2-(oxan-4-ylamino)benzoic acid
CID 67308120
2-aminoacetic acid;3-(cyclohexylamino)-5-(4-quinolin-3-ylcarbazol-9-yl)-1,2-dihydropyridine-2-carboxamide
CID 143871476
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
[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
2-[(3-amino-3-oxopropyl)amino]-4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]benzamide
CID 58338225
[4-[2-carbamoyl-5-[4-quinolin-3-yl-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]anilino]cyclohexyl] 2-aminoacetate;methanesulfonic acid
CID 87423925

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylamino)-4-(4-quinolin-3-ylcarbazol-9-yl)benzamide?
The IUPAC name of 2-(piperidin-4-ylamino)-4-(4-quinolin-3-ylcarbazol-9-yl)benzamide (CID 58338230) is 2-(piperidin-4-ylamino)-4-(4-quinolin-3-ylcarbazol-9-yl)benzamide.
What is the SMILES notation for 2-(piperidin-4-ylamino)-4-(4-quinolin-3-ylcarbazol-9-yl)benzamide?
The canonical SMILES for 2-(piperidin-4-ylamino)-4-(4-quinolin-3-ylcarbazol-9-yl)benzamide is NC(=O)c1ccc(-n2c3ccccc3c3c(-c4cnc5ccccc5c4)cccc32)cc1NC1CCNCC1.
What is the InChIKey of 2-(piperidin-4-ylamino)-4-(4-quinolin-3-ylcarbazol-9-yl)benzamide?
The InChIKey is DIHDGZCZJHREFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N5O/c34-33(39)26-13-12-24(19-29(26)37-23-14-16-35-17-15-23)38-30-10-4-2-7-27(30)32-25(8-5-11-31(32)38)22-18-21-6-1-3-9-28(21)36-20-22/h1-13,18-20,23,35,37H,14-17H2,(H2,34,39).
What are the key properties of 2-(piperidin-4-ylamino)-4-(4-quinolin-3-ylcarbazol-9-yl)benzamide?
2-(piperidin-4-ylamino)-4-(4-quinolin-3-ylcarbazol-9-yl)benzamide has a molecular weight of 511.63 g/mol, XLogP of 6.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylamino)-4-(4-quinolin-3-ylcarbazol-9-yl)benzamide is sourced from PubChem (CID 58338230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).