4-[(2-cyanoquinolin-8-yl)amino]-N'-[3-(pyridin-4-ylamino)phenyl]benzenecarboximidamide

C28H21N7 — CID 170228639

IUPAC4-[(2-cyanoquinolin-8-yl)amino]-N'-[3-(pyridin-4-ylamino)phenyl]benzenecarboximidamide
SMILESN#Cc1ccc2cccc(Nc3ccc(/C(N)=N/c4cccc(Nc5ccncc5)c4)cc3)c2n1
InChIInChI=1S/C28H21N7/c29-18-25-12-7-19-3-1-6-26(27(19)34-25)33-21-10-8-20(9-11-21)28(30)35-24-5-2-4-23(17-24)32-22-13-15-31-16-14-22/h1-17,33H,(H2,30,35)(H,31,32)
InChIKeyKXWLLMZSPXGLGX-UHFFFAOYSA-N
MW455.53 g/mol
LogP6.03
Rot. Bonds6

About 4-[(2-cyanoquinolin-8-yl)amino]-N'-[3-(pyridin-4-ylamino)phenyl]benzenecarboximidamide

4-[(2-cyanoquinolin-8-yl)amino]-N'-[3-(pyridin-4-ylamino)phenyl]benzenecarboximidamide (PubChem CID 170228639) has the molecular formula C28H21N7 and a molecular weight of 455.53 g/mol. Its IUPAC name is 4-[(2-cyanoquinolin-8-yl)amino]-N'-[3-(pyridin-4-ylamino)phenyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[(2-cyanoquinolin-8-yl)amino]-N'-[3-(pyridin-4-ylamino)phenyl]benzenecarboximidamide
PubChem CID170228639
Molecular FormulaC28H21N7
Molecular Weight455.53 g/mol
Exact Mass455.19
IUPAC Name4-[(2-cyanoquinolin-8-yl)amino]-N'-[3-(pyridin-4-ylamino)phenyl]benzenecarboximidamide
SMILESN#Cc1ccc2cccc(Nc3ccc(/C(N)=N/c4cccc(Nc5ccncc5)c4)cc3)c2n1
InChIInChI=1S/C28H21N7/c29-18-25-12-7-19-3-1-6-26(27(19)34-25)33-21-10-8-20(9-11-21)28(30)35-24-5-2-4-23(17-24)32-22-13-15-31-16-14-22/h1-17,33H,(H2,30,35)(H,31,32)
InChIKeyKXWLLMZSPXGLGX-UHFFFAOYSA-N
XLogP6.03
TPSA112.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.53
LogP ≤ 56.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-[(2-cyanoquinolin-8-yl)amino]-N'-[3-(pyridin-4-ylamino)phenyl]benzenecarboximidamide 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-[(3-cyanoisoquinolin-5-yl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide
CID 157043859
4-[(2-cyanoquinolin-8-yl)amino]-N-[4-[[(E)-4-ethynyliminobut-2-en-2-yl]amino]phenyl]benzamide
CID 170007922
5-[(2-methylquinolin-8-yl)amino]pyridine-2-carbonitrile
CID 115487676
N-(2-cyanoquinolin-8-yl)acetamide
CID 139830356
2-bromo-4-[(2-methylquinolin-8-yl)amino]benzonitrile
CID 107276311
N-[3-[(2-amino-4-pyridinyl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide
CID 157043383
N-[3-[[amino(phenyl)methylidene]amino]phenyl]benzamide
CID 139891874
2-(quinolin-8-ylamino)benzonitrile
CID 28601412
3-[(5-cyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide
CID 166832939
3-[(6-cyano-2-pyridinyl)amino]benzamide
CID 107811342
3-(pyridin-4-ylamino)phenol
CID 13098457
N-(3-cyanophenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109246222

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyanoquinolin-8-yl)amino]-N'-[3-(pyridin-4-ylamino)phenyl]benzenecarboximidamide?
The IUPAC name of 4-[(2-cyanoquinolin-8-yl)amino]-N'-[3-(pyridin-4-ylamino)phenyl]benzenecarboximidamide (CID 170228639) is 4-[(2-cyanoquinolin-8-yl)amino]-N'-[3-(pyridin-4-ylamino)phenyl]benzenecarboximidamide.
What is the SMILES notation for 4-[(2-cyanoquinolin-8-yl)amino]-N'-[3-(pyridin-4-ylamino)phenyl]benzenecarboximidamide?
The canonical SMILES for 4-[(2-cyanoquinolin-8-yl)amino]-N'-[3-(pyridin-4-ylamino)phenyl]benzenecarboximidamide is N#Cc1ccc2cccc(Nc3ccc(/C(N)=N/c4cccc(Nc5ccncc5)c4)cc3)c2n1.
What is the InChIKey of 4-[(2-cyanoquinolin-8-yl)amino]-N'-[3-(pyridin-4-ylamino)phenyl]benzenecarboximidamide?
The InChIKey is KXWLLMZSPXGLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N7/c29-18-25-12-7-19-3-1-6-26(27(19)34-25)33-21-10-8-20(9-11-21)28(30)35-24-5-2-4-23(17-24)32-22-13-15-31-16-14-22/h1-17,33H,(H2,30,35)(H,31,32).
What are the key properties of 4-[(2-cyanoquinolin-8-yl)amino]-N'-[3-(pyridin-4-ylamino)phenyl]benzenecarboximidamide?
4-[(2-cyanoquinolin-8-yl)amino]-N'-[3-(pyridin-4-ylamino)phenyl]benzenecarboximidamide has a molecular weight of 455.53 g/mol, XLogP of 6.03, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyanoquinolin-8-yl)amino]-N'-[3-(pyridin-4-ylamino)phenyl]benzenecarboximidamide is sourced from PubChem (CID 170228639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).