(8R)-8-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

C19H23N3O3 — CID 95130349

IUPAC(8R)-8-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCc1nn(C(C)(C)C)c(C)c1[C@@H]1CC(=O)Nc2cc3c(cc21)OCO3
InChIInChI=1S/C19H23N3O3/c1-10-18(11(2)22(21-10)19(3,4)5)13-7-17(23)20-14-8-16-15(6-12(13)14)24-9-25-16/h6,8,13H,7,9H2,1-5H3,(H,20,23)/t13-/m1/s1
InChIKeyFTNKTHMHXLBDAN-CYBMUJFWSA-N
MW341.41 g/mol
LogP3.46
Rot. Bonds1

About (8R)-8-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

(8R)-8-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (PubChem CID 95130349) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (8R)-8-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.

Molecular Properties

Compound Name(8R)-8-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
PubChem CID95130349
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(8R)-8-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCc1nn(C(C)(C)C)c(C)c1[C@@H]1CC(=O)Nc2cc3c(cc21)OCO3
InChIInChI=1S/C19H23N3O3/c1-10-18(11(2)22(21-10)19(3,4)5)13-7-17(23)20-14-8-16-15(6-12(13)14)24-9-25-16/h6,8,13H,7,9H2,1-5H3,(H,20,23)/t13-/m1/s1
InChIKeyFTNKTHMHXLBDAN-CYBMUJFWSA-N
XLogP3.46
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 2964928
(8R)-8-[5-(4-methylphenyl)-1H-pyrazol-4-yl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 95219861
(8S)-8-phenyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 1252620
(8S)-8-(2-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 705581
(9R)-9-(5-methylthiophen-2-yl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 1250110
8-thiophen-2-yl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 649015
(4R)-4-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-3-cyclobutyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136698066
(8R)-8-(4-propan-2-yloxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 7248717
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
8-(5-bromo-2-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 2973010
8-(2-fluoro-5-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 169416777
8-(3-chloro-4-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 17285471

Frequently Asked Questions

What is the IUPAC name of (8R)-8-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The IUPAC name of (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) is (8R)-8-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.
What is the SMILES notation for (8R)-8-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The canonical SMILES for (8R)-8-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is Cc1nn(C(C)(C)C)c(C)c1[C@@H]1CC(=O)Nc2cc3c(cc21)OCO3.
What is the InChIKey of (8R)-8-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The InChIKey is FTNKTHMHXLBDAN-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-10-18(11(2)22(21-10)19(3,4)5)13-7-17(23)20-14-8-16-15(6-12(13)14)24-9-25-16/h6,8,13H,7,9H2,1-5H3,(H,20,23)/t13-/m1/s1.
What are the key properties of (8R)-8-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
(8R)-8-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one has a molecular weight of 341.41 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is sourced from PubChem (CID 95130349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).