4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine

C19H23N5O — CID 137409072

IUPAC4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
SMILESNc1cc(NCCC2CCOCC2)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C19H23N5O/c20-19-12-17(21-7-3-13-5-9-25-10-6-13)15-2-1-14(11-18(15)23-19)16-4-8-22-24-16/h1-2,4,8,11-13H,3,5-7,9-10H2,(H,22,24)(H3,20,21,23)
InChIKeyONKYFPOCYSGKKC-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.44
Rot. Bonds5

About 4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine

4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine (PubChem CID 137409072) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
PubChem CID137409072
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
SMILESNc1cc(NCCC2CCOCC2)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C19H23N5O/c20-19-12-17(21-7-3-13-5-9-25-10-6-13)15-2-1-14(11-18(15)23-19)16-4-8-22-24-16/h1-2,4,8,11-13H,3,5-7,9-10H2,(H,22,24)(H3,20,21,23)
InChIKeyONKYFPOCYSGKKC-UHFFFAOYSA-N
XLogP3.44
TPSA88.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine?
The IUPAC name of 4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine (CID 137409072) is 4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine.
What is the SMILES notation for 4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine?
The canonical SMILES for 4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine is Nc1cc(NCCC2CCOCC2)c2ccc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of 4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine?
The InChIKey is ONKYFPOCYSGKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c20-19-12-17(21-7-3-13-5-9-25-10-6-13)15-2-1-14(11-18(15)23-19)16-4-8-22-24-16/h1-2,4,8,11-13H,3,5-7,9-10H2,(H,22,24)(H3,20,21,23).
What are the key properties of 4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine?
4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine has a molecular weight of 337.43 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine is sourced from PubChem (CID 137409072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).