8-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one;hydrochloride

C17H19ClN4O3 — CID 171992088

IUPAC8-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one;hydrochloride
SMILESCl.O=C1CC(c2cc3n(n2)CCCNC3)c2cc3c(cc2N1)OCO3
InChIInChI=1S/C17H18N4O3.ClH/c22-17-6-12(14-4-10-8-18-2-1-3-21(10)20-14)11-5-15-16(24-9-23-15)7-13(11)19-17;/h4-5,7,12,18H,1-3,6,8-9H2,(H,19,22);1H
InChIKeyULRWYLXOWQDEJJ-UHFFFAOYSA-N
MW362.82 g/mol
LogP2.00
Rot. Bonds1

About 8-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one;hydrochloride

8-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one;hydrochloride (PubChem CID 171992088) has the molecular formula C17H19ClN4O3 and a molecular weight of 362.82 g/mol. Its IUPAC name is 8-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one;hydrochloride.

Molecular Properties

Compound Name8-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one;hydrochloride
PubChem CID171992088
Molecular FormulaC17H19ClN4O3
Molecular Weight362.82 g/mol
Exact Mass362.11
IUPAC Name8-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one;hydrochloride
SMILESCl.O=C1CC(c2cc3n(n2)CCCNC3)c2cc3c(cc2N1)OCO3
InChIInChI=1S/C17H18N4O3.ClH/c22-17-6-12(14-4-10-8-18-2-1-3-21(10)20-14)11-5-15-16(24-9-23-15)7-13(11)19-17;/h4-5,7,12,18H,1-3,6,8-9H2,(H,19,22);1H
InChIKeyULRWYLXOWQDEJJ-UHFFFAOYSA-N
XLogP2.00
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one;hydrochloride with MolForge

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Related Compounds

4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 171388448
1,3-dimethyl-4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 171916328
(8S)-8-phenyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 1252620
(8R)-8-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 95130349
8-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 2964928
8-thiophen-2-yl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 649015
8-(4-fluoro-2-hydroxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 50948929
(8S)-8-(2-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 705581
(8R)-8-[5-(4-methylphenyl)-1H-pyrazol-4-yl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 95219861
(8R)-8-(4-propan-2-yloxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 7248717
2-cyclopropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;dihydrochloride
CID 112756425
8-(5-bromo-2-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 2973010

Frequently Asked Questions

What is the IUPAC name of 8-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one;hydrochloride?
The IUPAC name of 8-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one;hydrochloride (CID 171992088) is 8-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one;hydrochloride.
What is the SMILES notation for 8-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one;hydrochloride?
The canonical SMILES for 8-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one;hydrochloride is Cl.O=C1CC(c2cc3n(n2)CCCNC3)c2cc3c(cc2N1)OCO3.
What is the InChIKey of 8-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one;hydrochloride?
The InChIKey is ULRWYLXOWQDEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3.ClH/c22-17-6-12(14-4-10-8-18-2-1-3-21(10)20-14)11-5-15-16(24-9-23-15)7-13(11)19-17;/h4-5,7,12,18H,1-3,6,8-9H2,(H,19,22);1H.
What are the key properties of 8-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one;hydrochloride?
8-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one;hydrochloride has a molecular weight of 362.82 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one;hydrochloride is sourced from PubChem (CID 171992088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).