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

C18H21N7 — CID 142517054

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

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Related Compounds

4-N-[(2-methylpyrazol-3-yl)methyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
CID 137417910
4-N-(2-methyl-2-methylsulfinylpropyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
CID 142517015
(2R)-3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propane-1,2-diol
CID 137417579
4-N-[2-[amino-[(Z)-2-aminoprop-1-enyl]amino]ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
CID 142517047
7-(1H-pyrazol-5-yl)-4-N-(2-pyridin-2-ylethyl)quinoline-2,4-diamine
CID 137417608
8-fluoro-7-(1H-pyrazol-5-yl)-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine
CID 154649572
7-(1H-pyrazol-5-yl)-4-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-2,4-diamine
CID 137417972
4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
CID 137417642
7-(1H-pyrazol-5-yl)-4-N-[(3R)-pyrrolidin-3-yl]quinoline-2,4-diamine
CID 137417936
4-N-(3-aminopropyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;5-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-N,N-dimethylpentanamide;deuterio(fluoro)methane
CID 159663075
4-N-[3-(3-methylcyclopentyl)butan-2-yl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
CID 154649504
3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropan-1-ol
CID 137417812

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).