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

C19H29N7O — CID 137409071

IUPACazane;4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
SMILESN.N.Nc1cc(NCCC2CCOCC2)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C19H23N5O.2H3N/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);2*1H3
InChIKeySYTLTRRPRLWBDF-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.76
Rot. Bonds5

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

azane;4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine (PubChem CID 137409071) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is azane;4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine.

Molecular Properties

Compound Nameazane;4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
PubChem CID137409071
Molecular FormulaC19H29N7O
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC Nameazane;4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
SMILESN.N.Nc1cc(NCCC2CCOCC2)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C19H23N5O.2H3N/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);2*1H3
InChIKeySYTLTRRPRLWBDF-UHFFFAOYSA-N
XLogP3.76
TPSA158.85 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of azane;4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine?
The IUPAC name of azane;4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine (CID 137409071) is azane;4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine.
What is the SMILES notation for azane;4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine?
The canonical SMILES for azane;4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine is N.N.Nc1cc(NCCC2CCOCC2)c2ccc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of azane;4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine?
The InChIKey is SYTLTRRPRLWBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O.2H3N/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);2*1H3.
What are the key properties of azane;4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine?
azane;4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine has a molecular weight of 371.49 g/mol, XLogP of 3.76, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine is sourced from PubChem (CID 137409071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).