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

C20H17N3O3 — CID 95219861

IUPAC(8R)-8-[5-(4-methylphenyl)-1H-pyrazol-4-yl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCc1ccc(-c2[nH]ncc2[C@@H]2CC(=O)Nc3cc4c(cc32)OCO4)cc1
InChIInChI=1S/C20H17N3O3/c1-11-2-4-12(5-3-11)20-15(9-21-23-20)13-7-19(24)22-16-8-18-17(6-14(13)16)25-10-26-18/h2-6,8-9,13H,7,10H2,1H3,(H,21,23)(H,22,24)/t13-/m1/s1
InChIKeyHMICUOARNWOMAH-CYBMUJFWSA-N
MW347.37 g/mol
LogP3.59
Rot. Bonds2

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

(8R)-8-[5-(4-methylphenyl)-1H-pyrazol-4-yl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (PubChem CID 95219861) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is (8R)-8-[5-(4-methylphenyl)-1H-pyrazol-4-yl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.

Molecular Properties

Compound Name(8R)-8-[5-(4-methylphenyl)-1H-pyrazol-4-yl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
PubChem CID95219861
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name(8R)-8-[5-(4-methylphenyl)-1H-pyrazol-4-yl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCc1ccc(-c2[nH]ncc2[C@@H]2CC(=O)Nc3cc4c(cc32)OCO4)cc1
InChIInChI=1S/C20H17N3O3/c1-11-2-4-12(5-3-11)20-15(9-21-23-20)13-7-19(24)22-16-8-18-17(6-14(13)16)25-10-26-18/h2-6,8-9,13H,7,10H2,1H3,(H,21,23)(H,22,24)/t13-/m1/s1
InChIKeyHMICUOARNWOMAH-CYBMUJFWSA-N
XLogP3.59
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 2964928
(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
(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-(4-fluoro-2-hydroxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 50948929
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-thiophen-2-yl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 649015
4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide
CID 169416286
(8R)-8-(4-propan-2-yloxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 7248717
(8R)-8-[2-(2-methylpropoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 40645352
4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632655

Frequently Asked Questions

What is the IUPAC name of (8R)-8-[5-(4-methylphenyl)-1H-pyrazol-4-yl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The IUPAC name of (8R)-8-[5-(4-methylphenyl)-1H-pyrazol-4-yl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (CID 95219861) is (8R)-8-[5-(4-methylphenyl)-1H-pyrazol-4-yl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.
What is the SMILES notation for (8R)-8-[5-(4-methylphenyl)-1H-pyrazol-4-yl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The canonical SMILES for (8R)-8-[5-(4-methylphenyl)-1H-pyrazol-4-yl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is Cc1ccc(-c2[nH]ncc2[C@@H]2CC(=O)Nc3cc4c(cc32)OCO4)cc1.
What is the InChIKey of (8R)-8-[5-(4-methylphenyl)-1H-pyrazol-4-yl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The InChIKey is HMICUOARNWOMAH-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-11-2-4-12(5-3-11)20-15(9-21-23-20)13-7-19(24)22-16-8-18-17(6-14(13)16)25-10-26-18/h2-6,8-9,13H,7,10H2,1H3,(H,21,23)(H,22,24)/t13-/m1/s1.
What are the key properties of (8R)-8-[5-(4-methylphenyl)-1H-pyrazol-4-yl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
(8R)-8-[5-(4-methylphenyl)-1H-pyrazol-4-yl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one has a molecular weight of 347.37 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-[5-(4-methylphenyl)-1H-pyrazol-4-yl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is sourced from PubChem (CID 95219861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).