4-[(6-ethylquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]benzamide

C29H25N5O — CID 170225786

IUPAC4-[(6-ethylquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]benzamide
SMILESCCc1ccc2nccc(Nc3ccc(C(=O)Nc4cccc(Nc5ccncc5)c4)cc3)c2c1
InChIInChI=1S/C29H25N5O/c1-2-20-6-11-27-26(18-20)28(14-17-31-27)33-22-9-7-21(8-10-22)29(35)34-25-5-3-4-24(19-25)32-23-12-15-30-16-13-23/h3-19H,2H2,1H3,(H,30,32)(H,31,33)(H,34,35)
InChIKeyJEPMZVSXFYVZOJ-UHFFFAOYSA-N
MW459.55 g/mol
LogP6.93
Rot. Bonds7

About 4-[(6-ethylquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]benzamide

4-[(6-ethylquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]benzamide (PubChem CID 170225786) has the molecular formula C29H25N5O and a molecular weight of 459.55 g/mol. Its IUPAC name is 4-[(6-ethylquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-[(6-ethylquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]benzamide
PubChem CID170225786
Molecular FormulaC29H25N5O
Molecular Weight459.55 g/mol
Exact Mass459.21
IUPAC Name4-[(6-ethylquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]benzamide
SMILESCCc1ccc2nccc(Nc3ccc(C(=O)Nc4cccc(Nc5ccncc5)c4)cc3)c2c1
InChIInChI=1S/C29H25N5O/c1-2-20-6-11-27-26(18-20)28(14-17-31-27)33-22-9-7-21(8-10-22)29(35)34-25-5-3-4-24(19-25)32-23-12-15-30-16-13-23/h3-19H,2H2,1H3,(H,30,32)(H,31,33)(H,34,35)
InChIKeyJEPMZVSXFYVZOJ-UHFFFAOYSA-N
XLogP6.93
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.55
LogP ≤ 56.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(6-ethylquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]benzamide with MolForge

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Related Compounds

methyl 4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylate
CID 157189950
4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylic acid
CID 157295084
4-[(6-methylquinolin-4-yl)amino]-3-phosphanyl-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 170225894
3-[(6-ethynylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide
CID 163915964
4-fluoro-3-[(6-fluoroquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 157042717
N-[4-[(6-cyanoquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide
CID 157044000
ethane;N-[4-(pyridin-4-ylamino)phenyl]-4-[(6-sulfamoylquinolin-4-yl)amino]benzamide
CID 157043861
4-[(6-cyanoquinolin-4-yl)amino]-3-methyl-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 157043367
N-(3-bromophenyl)-6-ethylquinolin-4-amine
CID 53264754
3-anilino-N-[3-[(6-methoxyquinolin-4-yl)amino]phenyl]benzamide
CID 170001905
N-(3-anilinophenyl)-4-(pyridin-4-ylmethyl)benzamide
CID 168823701
N-[3-(pyridin-4-ylamino)phenyl]-3-[[6-(3,3,3-trifluoroprop-1-ynyl)quinolin-4-yl]amino]benzamide
CID 157042964

Frequently Asked Questions

What is the IUPAC name of 4-[(6-ethylquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]benzamide?
The IUPAC name of 4-[(6-ethylquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]benzamide (CID 170225786) is 4-[(6-ethylquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]benzamide.
What is the SMILES notation for 4-[(6-ethylquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]benzamide?
The canonical SMILES for 4-[(6-ethylquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]benzamide is CCc1ccc2nccc(Nc3ccc(C(=O)Nc4cccc(Nc5ccncc5)c4)cc3)c2c1.
What is the InChIKey of 4-[(6-ethylquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]benzamide?
The InChIKey is JEPMZVSXFYVZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O/c1-2-20-6-11-27-26(18-20)28(14-17-31-27)33-22-9-7-21(8-10-22)29(35)34-25-5-3-4-24(19-25)32-23-12-15-30-16-13-23/h3-19H,2H2,1H3,(H,30,32)(H,31,33)(H,34,35).
What are the key properties of 4-[(6-ethylquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]benzamide?
4-[(6-ethylquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]benzamide has a molecular weight of 459.55 g/mol, XLogP of 6.93, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-ethylquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]benzamide is sourced from PubChem (CID 170225786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).