7-(3,4-dimethoxyphenyl)-3-methyl-4-propan-2-yl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one

C22H26N2O4 — CID 135998960

IUPAC7-(3,4-dimethoxyphenyl)-3-methyl-4-propan-2-yl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
SMILESCOc1ccc(C2CC(=O)C3=C(C2)Nc2onc(C)c2C3C(C)C)cc1OC
InChIInChI=1S/C22H26N2O4/c1-11(2)19-20-12(3)24-28-22(20)23-15-8-14(9-16(25)21(15)19)13-6-7-17(26-4)18(10-13)27-5/h6-7,10-11,14,19,23H,8-9H2,1-5H3
InChIKeyDYMKBBCHRLFXQK-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.57
Rot. Bonds4

About 7-(3,4-dimethoxyphenyl)-3-methyl-4-propan-2-yl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one

7-(3,4-dimethoxyphenyl)-3-methyl-4-propan-2-yl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one (PubChem CID 135998960) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-3-methyl-4-propan-2-yl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)-3-methyl-4-propan-2-yl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
PubChem CID135998960
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name7-(3,4-dimethoxyphenyl)-3-methyl-4-propan-2-yl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
SMILESCOc1ccc(C2CC(=O)C3=C(C2)Nc2onc(C)c2C3C(C)C)cc1OC
InChIInChI=1S/C22H26N2O4/c1-11(2)19-20-12(3)24-28-22(20)23-15-8-14(9-16(25)21(15)19)13-6-7-17(26-4)18(10-13)27-5/h6-7,10-11,14,19,23H,8-9H2,1-5H3
InChIKeyDYMKBBCHRLFXQK-UHFFFAOYSA-N
XLogP4.57
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(3,4-dimethoxyphenyl)-3-methyl-4-propan-2-yl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one with MolForge

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Related Compounds

(4S,7S)-7-(3,4-dimethoxyphenyl)-3-methyl-4-phenyl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
CID 135911331
(4S,7S)-7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-3-methyl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
CID 135911347
7-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-3-methyl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
CID 135910986
(4S,7R)-7-(3,4-dimethoxyphenyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
CID 136746331
7-(3,4-dimethoxyphenyl)-4-(2-methoxyphenyl)-3-methyl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
CID 135910988
(4S,7R)-7-(3,4-dimethoxyphenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
CID 135906205
(4S,7R)-7-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)-3-methyl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
CID 135911275
(4R,7R)-7-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)-3-methyl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
CID 135911276
(4S,7R)-4-(3,4-dimethoxyphenyl)-7-(4-hydroxyphenyl)-3-methyl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
CID 136746390
(4S,7S)-4-(3,4-dimethoxyphenyl)-7-(4-hydroxyphenyl)-3-methyl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
CID 136746389
(4S,7S)-4-(2,4-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-3-methyl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
CID 135911397
(4S,7S)-4-(3-bromophenyl)-7-(3,4-dimethoxyphenyl)-3-methyl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
CID 135911363

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxyphenyl)-3-methyl-4-propan-2-yl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one?
The IUPAC name of 7-(3,4-dimethoxyphenyl)-3-methyl-4-propan-2-yl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one (CID 135998960) is 7-(3,4-dimethoxyphenyl)-3-methyl-4-propan-2-yl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)-3-methyl-4-propan-2-yl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)-3-methyl-4-propan-2-yl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one is COc1ccc(C2CC(=O)C3=C(C2)Nc2onc(C)c2C3C(C)C)cc1OC.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)-3-methyl-4-propan-2-yl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one?
The InChIKey is DYMKBBCHRLFXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-11(2)19-20-12(3)24-28-22(20)23-15-8-14(9-16(25)21(15)19)13-6-7-17(26-4)18(10-13)27-5/h6-7,10-11,14,19,23H,8-9H2,1-5H3.
What are the key properties of 7-(3,4-dimethoxyphenyl)-3-methyl-4-propan-2-yl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one?
7-(3,4-dimethoxyphenyl)-3-methyl-4-propan-2-yl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one has a molecular weight of 382.46 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxyphenyl)-3-methyl-4-propan-2-yl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one is sourced from PubChem (CID 135998960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).