Skip to content

Ethane;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine

C18H21N7 — CID 142517054

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACethane;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine
SMILESCC.Nc1cc(NCc2ccn[nH]2)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C16H15N7.C2H6/c17-16-8-14(18-9-11-3-5-19-22-11)12-2-1-10(7-15(12)21-16)13-4-6-20-23-13;1-2/h1-8H,9H2,(H,19,22)(H,20,23)(H3,17,18,21);1-2H3
InChIKeyOVOPJIWJLVTURY-UHFFFAOYSA-N
MW335.42 g/mol
LogP3.57
Rot. Bonds4

About Ethane;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine

Ethane;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine (PubChem CID 142517054) has the molecular formula C18H21N7 and a molecular weight of 335.42 g/mol. Its IUPAC name is ethane;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine.

Molecular Properties

Compound NameEthane;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine
PubChem CID142517054
Molecular FormulaC18H21N7
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Nameethane;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine
SMILESCC.Nc1cc(NCc2ccn[nH]2)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C16H15N7.C2H6/c17-16-8-14(18-9-11-3-5-19-22-11)12-2-1-10(7-15(12)21-16)13-4-6-20-23-13;1-2/h1-8H,9H2,(H,19,22)(H,20,23)(H3,17,18,21);1-2H3
InChIKeyOVOPJIWJLVTURY-UHFFFAOYSA-N
XLogP3.57
TPSA108.30 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 53.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze Ethane;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of Ethane;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine?
The IUPAC name of Ethane;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine (CID 142517054) is ethane;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine.
What is the SMILES notation for Ethane;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine?
The canonical SMILES for Ethane;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine is CC.Nc1cc(NCc2ccn[nH]2)c2ccc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of Ethane;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine?
The InChIKey is OVOPJIWJLVTURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7.C2H6/c17-16-8-14(18-9-11-3-5-19-22-11)12-2-1-10(7-15(12)21-16)13-4-6-20-23-13;1-2/h1-8H,9H2,(H,19,22)(H,20,23)(H3,17,18,21);1-2H3.
What are the key properties of Ethane;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine?
Ethane;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine has a molecular weight of 335.42 g/mol, XLogP of 3.57, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Ethane;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine is sourced from PubChem (CID 142517054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.