(8S)-8-(2,5-dimethoxy-4-propan-2-ylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

C21H23NO5 — CID 7393672

IUPAC(8S)-8-(2,5-dimethoxy-4-propan-2-ylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCOc1cc([C@H]2CC(=O)Nc3cc4c(cc32)OCO4)c(OC)cc1C(C)C
InChIInChI=1S/C21H23NO5/c1-11(2)12-5-18(25-4)15(7-17(12)24-3)13-8-21(23)22-16-9-20-19(6-14(13)16)26-10-27-20/h5-7,9,11,13H,8,10H2,1-4H3,(H,22,23)/t13-/m0/s1
InChIKeyMOUHPRSTCKNNIT-ZDUSSCGKSA-N
MW369.42 g/mol
LogP4.03
Rot. Bonds4

About (8S)-8-(2,5-dimethoxy-4-propan-2-ylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

(8S)-8-(2,5-dimethoxy-4-propan-2-ylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (PubChem CID 7393672) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is (8S)-8-(2,5-dimethoxy-4-propan-2-ylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.

Molecular Properties

Compound Name(8S)-8-(2,5-dimethoxy-4-propan-2-ylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
PubChem CID7393672
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name(8S)-8-(2,5-dimethoxy-4-propan-2-ylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCOc1cc([C@H]2CC(=O)Nc3cc4c(cc32)OCO4)c(OC)cc1C(C)C
InChIInChI=1S/C21H23NO5/c1-11(2)12-5-18(25-4)15(7-17(12)24-3)13-8-21(23)22-16-9-20-19(6-14(13)16)26-10-27-20/h5-7,9,11,13H,8,10H2,1-4H3,(H,22,23)/t13-/m0/s1
InChIKeyMOUHPRSTCKNNIT-ZDUSSCGKSA-N
XLogP4.03
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(8S)-8-(2-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 705581
8-(5-bromo-2-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 2973010
8-(3-chloro-4-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 17285471
(9R)-9-(5-chloro-2-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 1256572
9-(5-chloro-2-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 2978934
(4S)-4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 707554
8-(2-fluoro-5-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 169416777
(8R)-8-[2-(2-methylpropoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 40645352
(8R)-8-(4-propan-2-yloxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 7248717
8-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 2964928
8-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 50954568
(8S)-8-phenyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 1252620

Frequently Asked Questions

What is the IUPAC name of (8S)-8-(2,5-dimethoxy-4-propan-2-ylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The IUPAC name of (8S)-8-(2,5-dimethoxy-4-propan-2-ylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (CID 7393672) is (8S)-8-(2,5-dimethoxy-4-propan-2-ylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.
What is the SMILES notation for (8S)-8-(2,5-dimethoxy-4-propan-2-ylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The canonical SMILES for (8S)-8-(2,5-dimethoxy-4-propan-2-ylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is COc1cc([C@H]2CC(=O)Nc3cc4c(cc32)OCO4)c(OC)cc1C(C)C.
What is the InChIKey of (8S)-8-(2,5-dimethoxy-4-propan-2-ylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The InChIKey is MOUHPRSTCKNNIT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H23NO5/c1-11(2)12-5-18(25-4)15(7-17(12)24-3)13-8-21(23)22-16-9-20-19(6-14(13)16)26-10-27-20/h5-7,9,11,13H,8,10H2,1-4H3,(H,22,23)/t13-/m0/s1.
What are the key properties of (8S)-8-(2,5-dimethoxy-4-propan-2-ylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
(8S)-8-(2,5-dimethoxy-4-propan-2-ylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one has a molecular weight of 369.42 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-(2,5-dimethoxy-4-propan-2-ylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is sourced from PubChem (CID 7393672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).