4-N-(1,3-oxazol-5-ylmethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine

C16H14N6O — CID 137417842

IUPAC4-N-(1,3-oxazol-5-ylmethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
SMILESNc1cc(NCc2cnco2)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C16H14N6O/c17-16-6-14(19-8-11-7-18-9-23-11)12-2-1-10(5-15(12)21-16)13-3-4-20-22-13/h1-7,9H,8H2,(H,20,22)(H3,17,19,21)
InChIKeyZARFUXRWYCJEGG-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.81
Rot. Bonds4

About 4-N-(1,3-oxazol-5-ylmethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine

4-N-(1,3-oxazol-5-ylmethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine (PubChem CID 137417842) has the molecular formula C16H14N6O and a molecular weight of 306.33 g/mol. Its IUPAC name is 4-N-(1,3-oxazol-5-ylmethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(1,3-oxazol-5-ylmethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
PubChem CID137417842
Molecular FormulaC16H14N6O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC Name4-N-(1,3-oxazol-5-ylmethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
SMILESNc1cc(NCc2cnco2)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C16H14N6O/c17-16-6-14(19-8-11-7-18-9-23-11)12-2-1-10(5-15(12)21-16)13-3-4-20-22-13/h1-7,9H,8H2,(H,20,22)(H3,17,19,21)
InChIKeyZARFUXRWYCJEGG-UHFFFAOYSA-N
XLogP2.81
TPSA105.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1,3-oxazol-5-ylmethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine?
The IUPAC name of 4-N-(1,3-oxazol-5-ylmethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine (CID 137417842) is 4-N-(1,3-oxazol-5-ylmethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine.
What is the SMILES notation for 4-N-(1,3-oxazol-5-ylmethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine?
The canonical SMILES for 4-N-(1,3-oxazol-5-ylmethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine is Nc1cc(NCc2cnco2)c2ccc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of 4-N-(1,3-oxazol-5-ylmethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine?
The InChIKey is ZARFUXRWYCJEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O/c17-16-6-14(19-8-11-7-18-9-23-11)12-2-1-10(5-15(12)21-16)13-3-4-20-22-13/h1-7,9H,8H2,(H,20,22)(H3,17,19,21).
What are the key properties of 4-N-(1,3-oxazol-5-ylmethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine?
4-N-(1,3-oxazol-5-ylmethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine has a molecular weight of 306.33 g/mol, XLogP of 2.81, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,3-oxazol-5-ylmethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine is sourced from PubChem (CID 137417842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).