8-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-5-ethyl-3-methyl-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one

C16H19N5O — CID 143150281

IUPAC8-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-5-ethyl-3-methyl-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one
SMILES[H]/N=C/C(=C\N)c1ccc2c(c1)C1=NNC(C)C1C(=O)N2CC
InChIInChI=1S/C16H19N5O/c1-3-21-13-5-4-10(11(7-17)8-18)6-12(13)15-14(16(21)22)9(2)19-20-15/h4-9,14,17,19H,3,18H2,1-2H3/b11-8+,17-7+
InChIKeySJILEUNVTYQARK-SNWPKOIRSA-N
MW297.36 g/mol
LogP1.31
Rot. Bonds3

About 8-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-5-ethyl-3-methyl-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one

8-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-5-ethyl-3-methyl-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 143150281) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 8-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-5-ethyl-3-methyl-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name8-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-5-ethyl-3-methyl-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID143150281
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name8-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-5-ethyl-3-methyl-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one
SMILES[H]/N=C/C(=C\N)c1ccc2c(c1)C1=NNC(C)C1C(=O)N2CC
InChIInChI=1S/C16H19N5O/c1-3-21-13-5-4-10(11(7-17)8-18)6-12(13)15-14(16(21)22)9(2)19-20-15/h4-9,14,17,19H,3,18H2,1-2H3/b11-8+,17-7+
InChIKeySJILEUNVTYQARK-SNWPKOIRSA-N
XLogP1.31
TPSA94.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 8-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-5-ethyl-3-methyl-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 8-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-5-ethyl-3-methyl-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one (CID 143150281) is 8-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-5-ethyl-3-methyl-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 8-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-5-ethyl-3-methyl-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 8-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-5-ethyl-3-methyl-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one is [H]/N=C/C(=C\N)c1ccc2c(c1)C1=NNC(C)C1C(=O)N2CC.
What is the InChIKey of 8-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-5-ethyl-3-methyl-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is SJILEUNVTYQARK-SNWPKOIRSA-N. The full InChI is InChI=1S/C16H19N5O/c1-3-21-13-5-4-10(11(7-17)8-18)6-12(13)15-14(16(21)22)9(2)19-20-15/h4-9,14,17,19H,3,18H2,1-2H3/b11-8+,17-7+.
What are the key properties of 8-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-5-ethyl-3-methyl-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one?
8-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-5-ethyl-3-methyl-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 297.36 g/mol, XLogP of 1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-5-ethyl-3-methyl-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 143150281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).