4-N-[2-[amino-[(Z)-2-aminoprop-1-enyl]amino]ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine

C17H22N8 — CID 142517047

IUPAC4-N-[2-[amino-[(Z)-2-aminoprop-1-enyl]amino]ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
SMILESC/C(N)=C/N(N)CCNc1cc(N)nc2cc(-c3ccn[nH]3)ccc12
InChIInChI=1S/C17H22N8/c1-11(18)10-25(20)7-6-21-15-9-17(19)23-16-8-12(2-3-13(15)16)14-4-5-22-24-14/h2-5,8-10H,6-7,18,20H2,1H3,(H,22,24)(H3,19,21,23)/b11-10-
InChIKeyKZNKOTHZPXOJHR-KHPPLWFESA-N
MW338.42 g/mol
LogP1.61
Rot. Bonds6

About 4-N-[2-[amino-[(Z)-2-aminoprop-1-enyl]amino]ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine

4-N-[2-[amino-[(Z)-2-aminoprop-1-enyl]amino]ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine (PubChem CID 142517047) has the molecular formula C17H22N8 and a molecular weight of 338.42 g/mol. Its IUPAC name is 4-N-[2-[amino-[(Z)-2-aminoprop-1-enyl]amino]ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-[amino-[(Z)-2-aminoprop-1-enyl]amino]ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
PubChem CID142517047
Molecular FormulaC17H22N8
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC Name4-N-[2-[amino-[(Z)-2-aminoprop-1-enyl]amino]ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
SMILESC/C(N)=C/N(N)CCNc1cc(N)nc2cc(-c3ccn[nH]3)ccc12
InChIInChI=1S/C17H22N8/c1-11(18)10-25(20)7-6-21-15-9-17(19)23-16-8-12(2-3-13(15)16)14-4-5-22-24-14/h2-5,8-10H,6-7,18,20H2,1H3,(H,22,24)(H3,19,21,23)/b11-10-
InChIKeyKZNKOTHZPXOJHR-KHPPLWFESA-N
XLogP1.61
TPSA134.90 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[amino-[(Z)-2-aminoprop-1-enyl]amino]ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine?
The IUPAC name of 4-N-[2-[amino-[(Z)-2-aminoprop-1-enyl]amino]ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine (CID 142517047) is 4-N-[2-[amino-[(Z)-2-aminoprop-1-enyl]amino]ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine.
What is the SMILES notation for 4-N-[2-[amino-[(Z)-2-aminoprop-1-enyl]amino]ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine?
The canonical SMILES for 4-N-[2-[amino-[(Z)-2-aminoprop-1-enyl]amino]ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine is C/C(N)=C/N(N)CCNc1cc(N)nc2cc(-c3ccn[nH]3)ccc12.
What is the InChIKey of 4-N-[2-[amino-[(Z)-2-aminoprop-1-enyl]amino]ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine?
The InChIKey is KZNKOTHZPXOJHR-KHPPLWFESA-N. The full InChI is InChI=1S/C17H22N8/c1-11(18)10-25(20)7-6-21-15-9-17(19)23-16-8-12(2-3-13(15)16)14-4-5-22-24-14/h2-5,8-10H,6-7,18,20H2,1H3,(H,22,24)(H3,19,21,23)/b11-10-.
What are the key properties of 4-N-[2-[amino-[(Z)-2-aminoprop-1-enyl]amino]ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine?
4-N-[2-[amino-[(Z)-2-aminoprop-1-enyl]amino]ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine has a molecular weight of 338.42 g/mol, XLogP of 1.61, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[amino-[(Z)-2-aminoprop-1-enyl]amino]ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine is sourced from PubChem (CID 142517047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).