[(Z)-3-amino-2-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enylidene]azanium

C17H21N6O+ — CID 143019898

IUPAC[(Z)-3-amino-2-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enylidene]azanium
SMILESCc1[nH]nc2c1c(=O)n(CCCN)c1ccc(/C(C=[NH2+])=C/N)cc21
InChIInChI=1S/C17H20N6O/c1-10-15-16(22-21-10)13-7-11(12(8-19)9-20)3-4-14(13)23(17(15)24)6-2-5-18/h3-4,7-9,19H,2,5-6,18,20H2,1H3,(H,21,22)/p+1/b12-9+,19-8?
InChIKeyZASIXCMBRRJKMV-XHGBDQFMSA-O
MW325.40 g/mol
LogP-0.34
Rot. Bonds5

About [(Z)-3-amino-2-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enylidene]azanium

[(Z)-3-amino-2-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enylidene]azanium (PubChem CID 143019898) has the molecular formula C17H21N6O+ and a molecular weight of 325.40 g/mol. Its IUPAC name is [(Z)-3-amino-2-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enylidene]azanium.

Molecular Properties

Compound Name[(Z)-3-amino-2-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enylidene]azanium
PubChem CID143019898
Molecular FormulaC17H21N6O+
Molecular Weight325.40 g/mol
Exact Mass325.18
IUPAC Name[(Z)-3-amino-2-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enylidene]azanium
SMILESCc1[nH]nc2c1c(=O)n(CCCN)c1ccc(/C(C=[NH2+])=C/N)cc21
InChIInChI=1S/C17H20N6O/c1-10-15-16(22-21-10)13-7-11(12(8-19)9-20)3-4-14(13)23(17(15)24)6-2-5-18/h3-4,7-9,19H,2,5-6,18,20H2,1H3,(H,21,22)/p+1/b12-9+,19-8?
InChIKeyZASIXCMBRRJKMV-XHGBDQFMSA-O
XLogP-0.34
TPSA128.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 5-0.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-(3-aminopropyl)-5-methyl-3,4,8-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,5,10,15-pentaen-7-one
CID 11666515
5-(3-aminopropyl)-3-methyl-8-(2-piperidin-1-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one
CID 143019803
3-methyl-5-propyl-2H-pyrazolo[4,3-c]quinolin-4-one
CID 143019646
5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;N-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]-3-(dimethylamino)propanamide;3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanoic acid;methyl 3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]propanoate;methyl (E)-3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enoate
CID 157171790
5-ethyl-3-methyl-8-(1-methylpyrazol-4-yl)-2H-pyrazolo[4,3-c]quinolin-4-one
CID 58601148
8-[3-(4-acetylpiperazin-1-yl)prop-1-ynyl]-5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-imidazol-1-ylprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-morpholin-4-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-piperidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one
CID 158845242
N-[3-(14-methyl-16-oxo-12,13,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,8,11,14-pentaen-17-yl)propyl]acetamide
CID 11602782
N-[3-(8-amino-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-fluorobenzamide;2-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;3-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;4-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide
CID 157069444
5-(3-aminopropyl)-3-chloro-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-1,2-dihydropyrazolo[4,3-c]quinoline-3,4-dione;5-(3-aminopropyl)-3-fluoro-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methylsulfanyl-1H-pyrazolo[4,5-c]quinolin-4-one;5-(3-aminopropyl)-8-trimethylsilyl-1,2-dihydropyrazolo[4,3-c]quinoline-3,4-dione
CID 158480933
N-[(4-chloro-5-methylcyclohexa-1,3-dien-1-yl)methyl]-3-(8-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propanamide
CID 143019880
8-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]prop-1-ynyl]-5-ethyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one
CID 11545056
5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;tert-butyl N-[2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]carbamate;1-[2-(7-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]-3-cyclohexylurea;3,4-dimethoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide
CID 160674076

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-amino-2-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enylidene]azanium?
The IUPAC name of [(Z)-3-amino-2-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enylidene]azanium (CID 143019898) is [(Z)-3-amino-2-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enylidene]azanium.
What is the SMILES notation for [(Z)-3-amino-2-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enylidene]azanium?
The canonical SMILES for [(Z)-3-amino-2-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enylidene]azanium is Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(/C(C=[NH2+])=C/N)cc21.
What is the InChIKey of [(Z)-3-amino-2-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enylidene]azanium?
The InChIKey is ZASIXCMBRRJKMV-XHGBDQFMSA-O. The full InChI is InChI=1S/C17H20N6O/c1-10-15-16(22-21-10)13-7-11(12(8-19)9-20)3-4-14(13)23(17(15)24)6-2-5-18/h3-4,7-9,19H,2,5-6,18,20H2,1H3,(H,21,22)/p+1/b12-9+,19-8?.
What are the key properties of [(Z)-3-amino-2-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enylidene]azanium?
[(Z)-3-amino-2-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enylidene]azanium has a molecular weight of 325.40 g/mol, XLogP of -0.34, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-amino-2-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enylidene]azanium is sourced from PubChem (CID 143019898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).