N-(2-methoxyethyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide

C14H18N2O4 — CID 110616139

IUPACN-(2-methoxyethyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide
SMILESCOCCNC(=O)N1CCc2cc3c(cc2C1)OCO3
InChIInChI=1S/C14H18N2O4/c1-18-5-3-15-14(17)16-4-2-10-6-12-13(20-9-19-12)7-11(10)8-16/h6-7H,2-5,8-9H2,1H3,(H,15,17)
InChIKeyFLKAXHNNSKDIMT-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.13
Rot. Bonds3

About N-(2-methoxyethyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide

N-(2-methoxyethyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide (PubChem CID 110616139) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide
PubChem CID110616139
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-(2-methoxyethyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide
SMILESCOCCNC(=O)N1CCc2cc3c(cc2C1)OCO3
InChIInChI=1S/C14H18N2O4/c1-18-5-3-15-14(17)16-4-2-10-6-12-13(20-9-19-12)7-11(10)8-16/h6-7H,2-5,8-9H2,1H3,(H,15,17)
InChIKeyFLKAXHNNSKDIMT-UHFFFAOYSA-N
XLogP1.13
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide
CID 110616138
1-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)-3,3-dimethylbutan-1-one
CID 110409632
N-(oxan-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide
CID 110607356
7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[4-(dimethylamino)phenyl]methanone
CID 110661408
6,7-dimethoxy-N-[2-(2-methoxyethoxy)ethyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 111268823
5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109103448
N-(ethoxymethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 10756207
2-(4-methoxyphenyl)-1-(3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinolin-7-yl)ethanone
CID 110647096
6,7-dimethoxy-N-[[4-(methoxymethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 35689824
4-[(6,7-diethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]butanoic acid
CID 122021420
1-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone
CID 110607338
N-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 111269750

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide (CID 110616139) is N-(2-methoxyethyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide is COCCNC(=O)N1CCc2cc3c(cc2C1)OCO3.
What is the InChIKey of N-(2-methoxyethyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide?
The InChIKey is FLKAXHNNSKDIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-18-5-3-15-14(17)16-4-2-10-6-12-13(20-9-19-12)7-11(10)8-16/h6-7H,2-5,8-9H2,1H3,(H,15,17).
What are the key properties of N-(2-methoxyethyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide?
N-(2-methoxyethyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide is sourced from PubChem (CID 110616139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).