4-N-pyridin-4-ylquinoline-4,6-diamine

C14H12N4 — CID 91040633

IUPAC4-N-pyridin-4-ylquinoline-4,6-diamine
SMILESNc1ccc2nccc(Nc3ccncc3)c2c1
InChIInChI=1S/C14H12N4/c15-10-1-2-13-12(9-10)14(5-8-17-13)18-11-3-6-16-7-4-11/h1-9H,15H2,(H,16,17,18)
InChIKeyMROMHGGVHBQWJB-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.96
Rot. Bonds2

About 4-N-pyridin-4-ylquinoline-4,6-diamine

4-N-pyridin-4-ylquinoline-4,6-diamine (PubChem CID 91040633) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 4-N-pyridin-4-ylquinoline-4,6-diamine.

Molecular Properties

Compound Name4-N-pyridin-4-ylquinoline-4,6-diamine
PubChem CID91040633
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name4-N-pyridin-4-ylquinoline-4,6-diamine
SMILESNc1ccc2nccc(Nc3ccncc3)c2c1
InChIInChI=1S/C14H12N4/c15-10-1-2-13-12(9-10)14(5-8-17-13)18-11-3-6-16-7-4-11/h1-9H,15H2,(H,16,17,18)
InChIKeyMROMHGGVHBQWJB-UHFFFAOYSA-N
XLogP2.96
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-(6-chloro-1,7-naphthyridin-4-yl)benzene-1,4-diamine
CID 156871700
2-fluoro-1-N-pyridin-4-ylbenzene-1,4-diamine
CID 157044293
4-chloro-3-N-quinolin-4-ylbenzene-1,3-diamine
CID 61340093
N-[4-[(6-fluoroquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzenesulfonamide
CID 157043932
4-[(2-amino-6-methylpyrimidin-4-yl)amino]-N-[4-[(6-aminoquinolin-4-yl)amino]phenyl]benzamide
CID 67200918
ethane;N-[4-(pyridin-4-ylamino)phenyl]-4-[(6-sulfamoylquinolin-4-yl)amino]benzamide
CID 157043861
N-[4-[1-iodo-6-(pyridin-4-ylamino)benzimidazol-2-yl]phenyl]-6-phosphanylquinolin-4-amine
CID 170226242
N-[5-amino-2-(pyridin-4-ylamino)phenyl]methanimidoyl iodide
CID 138535096
N-(3,5-difluorophenyl)-6-fluoroquinolin-4-amine
CID 39850789
N-[4-[(6-cyanoquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide
CID 157044000
4-N-(3-bromo-4-fluorophenyl)quinoline-4,7-diamine
CID 103001760
4-[(6-fluoroquinolin-4-yl)amino]-N-[6-(pyridin-4-ylamino)-3-pyridinyl]benzamide
CID 157044112

Frequently Asked Questions

What is the IUPAC name of 4-N-pyridin-4-ylquinoline-4,6-diamine?
The IUPAC name of 4-N-pyridin-4-ylquinoline-4,6-diamine (CID 91040633) is 4-N-pyridin-4-ylquinoline-4,6-diamine.
What is the SMILES notation for 4-N-pyridin-4-ylquinoline-4,6-diamine?
The canonical SMILES for 4-N-pyridin-4-ylquinoline-4,6-diamine is Nc1ccc2nccc(Nc3ccncc3)c2c1.
What is the InChIKey of 4-N-pyridin-4-ylquinoline-4,6-diamine?
The InChIKey is MROMHGGVHBQWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c15-10-1-2-13-12(9-10)14(5-8-17-13)18-11-3-6-16-7-4-11/h1-9H,15H2,(H,16,17,18).
What are the key properties of 4-N-pyridin-4-ylquinoline-4,6-diamine?
4-N-pyridin-4-ylquinoline-4,6-diamine has a molecular weight of 236.28 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-pyridin-4-ylquinoline-4,6-diamine is sourced from PubChem (CID 91040633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).