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

C28H24N5OP — CID 170225894

IUPAC4-[(6-methylquinolin-4-yl)amino]-3-phosphanyl-N-[3-(pyridin-4-ylamino)phenyl]benzamide
SMILESCc1ccc2nccc(Nc3ccc(C(=O)Nc4cccc(Nc5ccncc5)c4)cc3P)c2c1
InChIInChI=1S/C28H24N5OP/c1-18-5-7-24-23(15-18)25(11-14-30-24)33-26-8-6-19(16-27(26)35)28(34)32-22-4-2-3-21(17-22)31-20-9-12-29-13-10-20/h2-17H,35H2,1H3,(H,29,31)(H,30,33)(H,32,34)
InChIKeyJQAOKLWFWPBWEN-UHFFFAOYSA-N
MW477.51 g/mol
LogP6.18
Rot. Bonds6

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

4-[(6-methylquinolin-4-yl)amino]-3-phosphanyl-N-[3-(pyridin-4-ylamino)phenyl]benzamide (PubChem CID 170225894) has the molecular formula C28H24N5OP and a molecular weight of 477.51 g/mol. Its IUPAC name is 4-[(6-methylquinolin-4-yl)amino]-3-phosphanyl-N-[3-(pyridin-4-ylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-[(6-methylquinolin-4-yl)amino]-3-phosphanyl-N-[3-(pyridin-4-ylamino)phenyl]benzamide
PubChem CID170225894
Molecular FormulaC28H24N5OP
Molecular Weight477.51 g/mol
Exact Mass477.17
IUPAC Name4-[(6-methylquinolin-4-yl)amino]-3-phosphanyl-N-[3-(pyridin-4-ylamino)phenyl]benzamide
SMILESCc1ccc2nccc(Nc3ccc(C(=O)Nc4cccc(Nc5ccncc5)c4)cc3P)c2c1
InChIInChI=1S/C28H24N5OP/c1-18-5-7-24-23(15-18)25(11-14-30-24)33-26-8-6-19(16-27(26)35)28(34)32-22-4-2-3-21(17-22)31-20-9-12-29-13-10-20/h2-17H,35H2,1H3,(H,29,31)(H,30,33)(H,32,34)
InChIKeyJQAOKLWFWPBWEN-UHFFFAOYSA-N
XLogP6.18
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.51
LogP ≤ 56.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(6-cyanoquinolin-4-yl)amino]-3-methyl-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 157043367
4-fluoro-3-[(6-fluoroquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 157042717
4-[(6-ethylquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 170225786
3-[(6-fluoroquinolin-4-yl)amino]-N-[3-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 166834800
N-(3-anilinophenyl)-3-[(6-fluoroquinolin-4-yl)amino]-5-methylbenzamide
CID 170001843
3-[(6-ethynylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide
CID 163915964
N-[3-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-4-[(6-methylquinolin-4-yl)amino]benzamide
CID 58472452
3-anilino-N-[3-[(6-methoxyquinolin-4-yl)amino]phenyl]benzamide
CID 170001905
N-[3-(pyridin-4-ylamino)phenyl]-3-[[6-(3,3,3-trifluoroprop-1-ynyl)quinolin-4-yl]amino]benzamide
CID 157042964
3-[(6-fluoroquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 166833012
4-[(6-cyanoquinolin-4-yl)amino]-N-[3-phosphanyl-5-(pyridin-4-ylamino)phenyl]benzamide
CID 170232036
N-(3-anilino-5-fluorophenyl)-3-[(6-fluoroquinolin-4-yl)amino]benzamide
CID 170001867

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methylquinolin-4-yl)amino]-3-phosphanyl-N-[3-(pyridin-4-ylamino)phenyl]benzamide?
The IUPAC name of 4-[(6-methylquinolin-4-yl)amino]-3-phosphanyl-N-[3-(pyridin-4-ylamino)phenyl]benzamide (CID 170225894) is 4-[(6-methylquinolin-4-yl)amino]-3-phosphanyl-N-[3-(pyridin-4-ylamino)phenyl]benzamide.
What is the SMILES notation for 4-[(6-methylquinolin-4-yl)amino]-3-phosphanyl-N-[3-(pyridin-4-ylamino)phenyl]benzamide?
The canonical SMILES for 4-[(6-methylquinolin-4-yl)amino]-3-phosphanyl-N-[3-(pyridin-4-ylamino)phenyl]benzamide is Cc1ccc2nccc(Nc3ccc(C(=O)Nc4cccc(Nc5ccncc5)c4)cc3P)c2c1.
What is the InChIKey of 4-[(6-methylquinolin-4-yl)amino]-3-phosphanyl-N-[3-(pyridin-4-ylamino)phenyl]benzamide?
The InChIKey is JQAOKLWFWPBWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N5OP/c1-18-5-7-24-23(15-18)25(11-14-30-24)33-26-8-6-19(16-27(26)35)28(34)32-22-4-2-3-21(17-22)31-20-9-12-29-13-10-20/h2-17H,35H2,1H3,(H,29,31)(H,30,33)(H,32,34).
What are the key properties of 4-[(6-methylquinolin-4-yl)amino]-3-phosphanyl-N-[3-(pyridin-4-ylamino)phenyl]benzamide?
4-[(6-methylquinolin-4-yl)amino]-3-phosphanyl-N-[3-(pyridin-4-ylamino)phenyl]benzamide has a molecular weight of 477.51 g/mol, XLogP of 6.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methylquinolin-4-yl)amino]-3-phosphanyl-N-[3-(pyridin-4-ylamino)phenyl]benzamide is sourced from PubChem (CID 170225894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).