4-[(6-cyanoquinolin-4-yl)amino]-N-[4-(pyridin-2-ylamino)phenyl]benzamide

C28H20N6O — CID 170005617

IUPAC4-[(6-cyanoquinolin-4-yl)amino]-N-[4-(pyridin-2-ylamino)phenyl]benzamide
SMILESN#Cc1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Nc5ccccn5)cc4)cc3)c2c1
InChIInChI=1S/C28H20N6O/c29-18-19-4-13-25-24(17-19)26(14-16-30-25)32-21-7-5-20(6-8-21)28(35)34-23-11-9-22(10-12-23)33-27-3-1-2-15-31-27/h1-17H,(H,30,32)(H,31,33)(H,34,35)
InChIKeyQVJZDKLXAWHDAG-UHFFFAOYSA-N
MW456.51 g/mol
LogP6.24
Rot. Bonds6

About 4-[(6-cyanoquinolin-4-yl)amino]-N-[4-(pyridin-2-ylamino)phenyl]benzamide

4-[(6-cyanoquinolin-4-yl)amino]-N-[4-(pyridin-2-ylamino)phenyl]benzamide (PubChem CID 170005617) has the molecular formula C28H20N6O and a molecular weight of 456.51 g/mol. Its IUPAC name is 4-[(6-cyanoquinolin-4-yl)amino]-N-[4-(pyridin-2-ylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-[(6-cyanoquinolin-4-yl)amino]-N-[4-(pyridin-2-ylamino)phenyl]benzamide
PubChem CID170005617
Molecular FormulaC28H20N6O
Molecular Weight456.51 g/mol
Exact Mass456.17
IUPAC Name4-[(6-cyanoquinolin-4-yl)amino]-N-[4-(pyridin-2-ylamino)phenyl]benzamide
SMILESN#Cc1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Nc5ccccn5)cc4)cc3)c2c1
InChIInChI=1S/C28H20N6O/c29-18-19-4-13-25-24(17-19)26(14-16-30-25)32-21-7-5-20(6-8-21)28(35)34-23-11-9-22(10-12-23)33-27-3-1-2-15-31-27/h1-17H,(H,30,32)(H,31,33)(H,34,35)
InChIKeyQVJZDKLXAWHDAG-UHFFFAOYSA-N
XLogP6.24
TPSA102.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.51
LogP ≤ 56.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[(6-cyanoquinolin-4-yl)amino]-N-[4-(pyridin-2-ylamino)phenyl]benzamide with MolForge

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Related Compounds

N-[4-[(6-cyanoquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide
CID 157044000
N-(4-anilinophenyl)-4-[(6-ethynylquinolin-4-yl)amino]benzamide
CID 170005207
4-[(6-cyanoquinolin-4-yl)amino]-N-[3-phosphanyl-5-(pyridin-4-ylamino)phenyl]benzamide
CID 170232036
4-[[6-(prop-2-enoylamino)quinolin-4-yl]amino]-N-pyridin-2-ylbenzamide
CID 121273423
N-(3-anilinophenyl)-3-[(6-cyanoquinolin-4-yl)amino]-5-fluorobenzamide
CID 170001829
3-[(6-cyanoquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide
CID 157042727
N-[4-[[3-[(amino-methyl-oxo-λ6-sulfanylidene)amino]cyclobutyl]amino]phenyl]-4-[(6-cyanoquinolin-4-yl)amino]benzamide
CID 157044194
N-phenyl-4-(quinolin-4-ylamino)benzamide
CID 58472461
4-[(6-cyanoquinolin-4-yl)amino]-3-methyl-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 157043367
N-[4-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]benzamide
CID 142700397
6-[(6-cyanoquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]pyridine-2-carboxamide
CID 157042999
3-[(6-cyanoquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
CID 157043187

Frequently Asked Questions

What is the IUPAC name of 4-[(6-cyanoquinolin-4-yl)amino]-N-[4-(pyridin-2-ylamino)phenyl]benzamide?
The IUPAC name of 4-[(6-cyanoquinolin-4-yl)amino]-N-[4-(pyridin-2-ylamino)phenyl]benzamide (CID 170005617) is 4-[(6-cyanoquinolin-4-yl)amino]-N-[4-(pyridin-2-ylamino)phenyl]benzamide.
What is the SMILES notation for 4-[(6-cyanoquinolin-4-yl)amino]-N-[4-(pyridin-2-ylamino)phenyl]benzamide?
The canonical SMILES for 4-[(6-cyanoquinolin-4-yl)amino]-N-[4-(pyridin-2-ylamino)phenyl]benzamide is N#Cc1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Nc5ccccn5)cc4)cc3)c2c1.
What is the InChIKey of 4-[(6-cyanoquinolin-4-yl)amino]-N-[4-(pyridin-2-ylamino)phenyl]benzamide?
The InChIKey is QVJZDKLXAWHDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N6O/c29-18-19-4-13-25-24(17-19)26(14-16-30-25)32-21-7-5-20(6-8-21)28(35)34-23-11-9-22(10-12-23)33-27-3-1-2-15-31-27/h1-17H,(H,30,32)(H,31,33)(H,34,35).
What are the key properties of 4-[(6-cyanoquinolin-4-yl)amino]-N-[4-(pyridin-2-ylamino)phenyl]benzamide?
4-[(6-cyanoquinolin-4-yl)amino]-N-[4-(pyridin-2-ylamino)phenyl]benzamide has a molecular weight of 456.51 g/mol, XLogP of 6.24, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-cyanoquinolin-4-yl)amino]-N-[4-(pyridin-2-ylamino)phenyl]benzamide is sourced from PubChem (CID 170005617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).