1-(2H-pyrazolo[3,4-c]quinolin-1-yl)prop-2-en-1-amine

C13H12N4 — CID 66958743

IUPAC1-(2H-pyrazolo[3,4-c]quinolin-1-yl)prop-2-en-1-amine
SMILESC=CC(N)c1[nH]nc2cnc3ccccc3c12
InChIInChI=1S/C13H12N4/c1-2-9(14)13-12-8-5-3-4-6-10(8)15-7-11(12)16-17-13/h2-7,9H,1,14H2,(H,16,17)
InChIKeyIPMDPXYRXOCKBK-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.30
Rot. Bonds2

About 1-(2H-pyrazolo[3,4-c]quinolin-1-yl)prop-2-en-1-amine

1-(2H-pyrazolo[3,4-c]quinolin-1-yl)prop-2-en-1-amine (PubChem CID 66958743) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 1-(2H-pyrazolo[3,4-c]quinolin-1-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-(2H-pyrazolo[3,4-c]quinolin-1-yl)prop-2-en-1-amine
PubChem CID66958743
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name1-(2H-pyrazolo[3,4-c]quinolin-1-yl)prop-2-en-1-amine
SMILESC=CC(N)c1[nH]nc2cnc3ccccc3c12
InChIInChI=1S/C13H12N4/c1-2-9(14)13-12-8-5-3-4-6-10(8)15-7-11(12)16-17-13/h2-7,9H,1,14H2,(H,16,17)
InChIKeyIPMDPXYRXOCKBK-UHFFFAOYSA-N
XLogP2.30
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2H-pyrazolo[3,4-c]quinoline
CID 141354737
(1R)-1-quinolin-4-ylprop-2-en-1-amine;hydrochloride
CID 171216982
1-nitro-2H-pyrazolo[3,4-c]quinoline
CID 141354739
1-(1,3-benzothiazol-2-yl)prop-2-en-1-amine
CID 67137210
2,10,13,21-tetrazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 12589043
ethane;3-propan-2-yl-2H-indazole
CID 167622577
1-(1H-indol-3-yl)prop-2-en-1-amine
CID 55294436
1-(2H-indazol-3-yl)ethanol
CID 119095207
hydron;quinazolin-4-amine
CID 174478214
(1R)-1-(1H-indol-3-yl)prop-2-en-1-amine;hydrochloride
CID 171197962
phenanthridine
CID 9189
7,12-bis(1,3,5-triazin-2-yl)benzo[j]phenanthridine
CID 59183201

Frequently Asked Questions

What is the IUPAC name of 1-(2H-pyrazolo[3,4-c]quinolin-1-yl)prop-2-en-1-amine?
The IUPAC name of 1-(2H-pyrazolo[3,4-c]quinolin-1-yl)prop-2-en-1-amine (CID 66958743) is 1-(2H-pyrazolo[3,4-c]quinolin-1-yl)prop-2-en-1-amine.
What is the SMILES notation for 1-(2H-pyrazolo[3,4-c]quinolin-1-yl)prop-2-en-1-amine?
The canonical SMILES for 1-(2H-pyrazolo[3,4-c]quinolin-1-yl)prop-2-en-1-amine is C=CC(N)c1[nH]nc2cnc3ccccc3c12.
What is the InChIKey of 1-(2H-pyrazolo[3,4-c]quinolin-1-yl)prop-2-en-1-amine?
The InChIKey is IPMDPXYRXOCKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-2-9(14)13-12-8-5-3-4-6-10(8)15-7-11(12)16-17-13/h2-7,9H,1,14H2,(H,16,17).
What are the key properties of 1-(2H-pyrazolo[3,4-c]quinolin-1-yl)prop-2-en-1-amine?
1-(2H-pyrazolo[3,4-c]quinolin-1-yl)prop-2-en-1-amine has a molecular weight of 224.27 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-pyrazolo[3,4-c]quinolin-1-yl)prop-2-en-1-amine is sourced from PubChem (CID 66958743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).