2-[4-amino-7-(1-amino-3-iminoprop-1-enyl)pyrazolo[3,4-c]quinolin-2-yl]-1-pyrrolidin-1-ylethanone

C19H21N7O — CID 174150798

IUPAC2-[4-amino-7-(1-amino-3-iminoprop-1-enyl)pyrazolo[3,4-c]quinolin-2-yl]-1-pyrrolidin-1-ylethanone
SMILES[H]/N=C/C=C(N)c1ccc2c(c1)nc(N)c1nn(CC(=O)N3CCCC3)cc12
InChIInChI=1S/C19H21N7O/c20-6-5-15(21)12-3-4-13-14-10-26(11-17(27)25-7-1-2-8-25)24-18(14)19(22)23-16(13)9-12/h3-6,9-10,20H,1-2,7-8,11,21H2,(H2,22,23)/b15-5?,20-6+
InChIKeyVNWQFODSBZUYBU-HRAKNUGMSA-N
MW363.43 g/mol
LogP1.74
Rot. Bonds4

About 2-[4-amino-7-(1-amino-3-iminoprop-1-enyl)pyrazolo[3,4-c]quinolin-2-yl]-1-pyrrolidin-1-ylethanone

2-[4-amino-7-(1-amino-3-iminoprop-1-enyl)pyrazolo[3,4-c]quinolin-2-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 174150798) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 2-[4-amino-7-(1-amino-3-iminoprop-1-enyl)pyrazolo[3,4-c]quinolin-2-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-amino-7-(1-amino-3-iminoprop-1-enyl)pyrazolo[3,4-c]quinolin-2-yl]-1-pyrrolidin-1-ylethanone
PubChem CID174150798
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name2-[4-amino-7-(1-amino-3-iminoprop-1-enyl)pyrazolo[3,4-c]quinolin-2-yl]-1-pyrrolidin-1-ylethanone
SMILES[H]/N=C/C=C(N)c1ccc2c(c1)nc(N)c1nn(CC(=O)N3CCCC3)cc12
InChIInChI=1S/C19H21N7O/c20-6-5-15(21)12-3-4-13-14-10-26(11-17(27)25-7-1-2-8-25)24-18(14)19(22)23-16(13)9-12/h3-6,9-10,20H,1-2,7-8,11,21H2,(H2,22,23)/b15-5?,20-6+
InChIKeyVNWQFODSBZUYBU-HRAKNUGMSA-N
XLogP1.74
TPSA126.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-7-(1-amino-3-iminoprop-1-enyl)pyrazolo[3,4-c]quinolin-2-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-amino-7-(1-amino-3-iminoprop-1-enyl)pyrazolo[3,4-c]quinolin-2-yl]-1-pyrrolidin-1-ylethanone (CID 174150798) is 2-[4-amino-7-(1-amino-3-iminoprop-1-enyl)pyrazolo[3,4-c]quinolin-2-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-amino-7-(1-amino-3-iminoprop-1-enyl)pyrazolo[3,4-c]quinolin-2-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-amino-7-(1-amino-3-iminoprop-1-enyl)pyrazolo[3,4-c]quinolin-2-yl]-1-pyrrolidin-1-ylethanone is [H]/N=C/C=C(N)c1ccc2c(c1)nc(N)c1nn(CC(=O)N3CCCC3)cc12.
What is the InChIKey of 2-[4-amino-7-(1-amino-3-iminoprop-1-enyl)pyrazolo[3,4-c]quinolin-2-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is VNWQFODSBZUYBU-HRAKNUGMSA-N. The full InChI is InChI=1S/C19H21N7O/c20-6-5-15(21)12-3-4-13-14-10-26(11-17(27)25-7-1-2-8-25)24-18(14)19(22)23-16(13)9-12/h3-6,9-10,20H,1-2,7-8,11,21H2,(H2,22,23)/b15-5?,20-6+.
What are the key properties of 2-[4-amino-7-(1-amino-3-iminoprop-1-enyl)pyrazolo[3,4-c]quinolin-2-yl]-1-pyrrolidin-1-ylethanone?
2-[4-amino-7-(1-amino-3-iminoprop-1-enyl)pyrazolo[3,4-c]quinolin-2-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 363.43 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-7-(1-amino-3-iminoprop-1-enyl)pyrazolo[3,4-c]quinolin-2-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 174150798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).