4-methoxy-6-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-amine

C21H21N3O3S — CID 4834319

IUPAC4-methoxy-6-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
SMILESCOc1c2c(cc3c1C(Nc1nc(-c4ccccc4)cs1)N(C)CC3)OCO2
InChIInChI=1S/C21H21N3O3S/c1-24-9-8-14-10-16-18(27-12-26-16)19(25-2)17(14)20(24)23-21-22-15(11-28-21)13-6-4-3-5-7-13/h3-7,10-11,20H,8-9,12H2,1-2H3,(H,22,23)
InChIKeyNPPPQTCGQOTPPM-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.15
Rot. Bonds4

About 4-methoxy-6-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-amine

4-methoxy-6-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-amine (PubChem CID 4834319) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 4-methoxy-6-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-amine.

Molecular Properties

Compound Name4-methoxy-6-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
PubChem CID4834319
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name4-methoxy-6-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
SMILESCOc1c2c(cc3c1C(Nc1nc(-c4ccccc4)cs1)N(C)CC3)OCO2
InChIInChI=1S/C21H21N3O3S/c1-24-9-8-14-10-16-18(27-12-26-16)19(25-2)17(14)20(24)23-21-22-15(11-28-21)13-6-4-3-5-7-13/h3-7,10-11,20H,8-9,12H2,1-2H3,(H,22,23)
InChIKeyNPPPQTCGQOTPPM-UHFFFAOYSA-N
XLogP4.15
TPSA55.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methoxy-6-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-amine with MolForge

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Related Compounds

4-methoxy-6-methyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
CID 4836309
(2R)-2-[(5S)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-2-phenylacetonitrile
CID 98367886
bis(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl) benzene-1,2-dicarboxylate
CID 3083944
methyl 2-[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 4836743
N-[2-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-pyridin-2-ylethylidene]hydroxylamine
CID 3803981
N-[2-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-1-pyridin-2-ylethylidene]hydroxylamine
CID 162870883
2-[(5S)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]acetic acid
CID 933623
(5S)-5-(1H-indol-3-yl)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
CID 933042
4-methoxy-5-[2-(2-methoxyphenyl)ethynyl]-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
CID 71573740
4-methoxy-5-[2-(4-methoxyphenyl)ethynyl]-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
CID 71573704
4-methoxy-6-methyl-5-[2-[4-(trifluoromethyl)phenyl]ethynyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
CID 71573705
4-methoxy-6-methyl-5-[1-(3-methylphenyl)tetrazol-5-yl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
CID 3805952

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-amine?
The IUPAC name of 4-methoxy-6-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-amine (CID 4834319) is 4-methoxy-6-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-amine.
What is the SMILES notation for 4-methoxy-6-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-amine?
The canonical SMILES for 4-methoxy-6-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-amine is COc1c2c(cc3c1C(Nc1nc(-c4ccccc4)cs1)N(C)CC3)OCO2.
What is the InChIKey of 4-methoxy-6-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-amine?
The InChIKey is NPPPQTCGQOTPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-24-9-8-14-10-16-18(27-12-26-16)19(25-2)17(14)20(24)23-21-22-15(11-28-21)13-6-4-3-5-7-13/h3-7,10-11,20H,8-9,12H2,1-2H3,(H,22,23).
What are the key properties of 4-methoxy-6-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-amine?
4-methoxy-6-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-amine has a molecular weight of 395.48 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-amine is sourced from PubChem (CID 4834319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).