3-N-(pyridin-4-ylmethyl)quinoline-3,4-diamine

C15H14N4 — CID 150061818

IUPAC3-N-(pyridin-4-ylmethyl)quinoline-3,4-diamine
SMILESNc1c(NCc2ccncc2)cnc2ccccc12
InChIInChI=1S/C15H14N4/c16-15-12-3-1-2-4-13(12)19-10-14(15)18-9-11-5-7-17-8-6-11/h1-8,10,18H,9H2,(H2,16,19)
InChIKeyDNLNLUUZALEZJD-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.82
Rot. Bonds3

About 3-N-(pyridin-4-ylmethyl)quinoline-3,4-diamine

3-N-(pyridin-4-ylmethyl)quinoline-3,4-diamine (PubChem CID 150061818) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 3-N-(pyridin-4-ylmethyl)quinoline-3,4-diamine.

Molecular Properties

Compound Name3-N-(pyridin-4-ylmethyl)quinoline-3,4-diamine
PubChem CID150061818
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name3-N-(pyridin-4-ylmethyl)quinoline-3,4-diamine
SMILESNc1c(NCc2ccncc2)cnc2ccccc12
InChIInChI=1S/C15H14N4/c16-15-12-3-1-2-4-13(12)19-10-14(15)18-9-11-5-7-17-8-6-11/h1-8,10,18H,9H2,(H2,16,19)
InChIKeyDNLNLUUZALEZJD-UHFFFAOYSA-N
XLogP2.82
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-N-(pyridin-4-ylmethyl)quinoline-3,4-diamine 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

2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine
CID 14125891
N-(4-aminoquinolin-3-yl)formamide
CID 23043031
N-(pyridin-4-ylmethyl)-1-[2-(pyridin-4-ylmethylamino)naphthalen-1-yl]naphthalen-2-amine
CID 58761741
6-N-[(6-methyl-3-pyridinyl)methyl]quinoline-5,6-diamine
CID 62997443
4-N-methyl-4-N-(pyridin-4-ylmethyl)quinoline-3,4-diamine
CID 103962883
N-(4-aminoquinolin-3-yl)-2-ethoxyacetamide
CID 122650155
2-amino-3-(pyridin-4-ylmethylamino)benzamide
CID 115544647
2,4-dimethyl-1-N-(pyridin-4-ylmethyl)benzene-1,3-diamine;trihydrochloride
CID 70397060
N-(pyridin-4-ylmethyl)quinazoline-4-carboxamide
CID 110702680
4-N-benzyl-1,5-naphthyridine-3,4-diamine
CID 91584152
5-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 3706833
1-pyridin-4-yl-N-(quinoxalin-2-ylmethyl)methanamine
CID 43769368

Frequently Asked Questions

What is the IUPAC name of 3-N-(pyridin-4-ylmethyl)quinoline-3,4-diamine?
The IUPAC name of 3-N-(pyridin-4-ylmethyl)quinoline-3,4-diamine (CID 150061818) is 3-N-(pyridin-4-ylmethyl)quinoline-3,4-diamine.
What is the SMILES notation for 3-N-(pyridin-4-ylmethyl)quinoline-3,4-diamine?
The canonical SMILES for 3-N-(pyridin-4-ylmethyl)quinoline-3,4-diamine is Nc1c(NCc2ccncc2)cnc2ccccc12.
What is the InChIKey of 3-N-(pyridin-4-ylmethyl)quinoline-3,4-diamine?
The InChIKey is DNLNLUUZALEZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c16-15-12-3-1-2-4-13(12)19-10-14(15)18-9-11-5-7-17-8-6-11/h1-8,10,18H,9H2,(H2,16,19).
What are the key properties of 3-N-(pyridin-4-ylmethyl)quinoline-3,4-diamine?
3-N-(pyridin-4-ylmethyl)quinoline-3,4-diamine has a molecular weight of 250.31 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(pyridin-4-ylmethyl)quinoline-3,4-diamine is sourced from PubChem (CID 150061818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).