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

C16H20N2O4 — CID 110607356

IUPACN-(oxan-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide
SMILESO=C(NC1CCOCC1)N1CCc2cc3c(cc2C1)OCO3
InChIInChI=1S/C16H20N2O4/c19-16(17-13-2-5-20-6-3-13)18-4-1-11-7-14-15(22-10-21-14)8-12(11)9-18/h7-8,13H,1-6,9-10H2,(H,17,19)
InChIKeyBOJCBTDEIPJJPL-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.66
Rot. Bonds1

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

N-(oxan-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide (PubChem CID 110607356) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(oxan-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide
PubChem CID110607356
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC NameN-(oxan-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide
SMILESO=C(NC1CCOCC1)N1CCc2cc3c(cc2C1)OCO3
InChIInChI=1S/C16H20N2O4/c19-16(17-13-2-5-20-6-3-13)18-4-1-11-7-14-15(22-10-21-14)8-12(11)9-18/h7-8,13H,1-6,9-10H2,(H,17,19)
InChIKeyBOJCBTDEIPJJPL-UHFFFAOYSA-N
XLogP1.66
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide
CID 110616138
N-(2-methoxyethyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide
CID 110616139
3-bromo-N-(oxan-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carboxamide
CID 163354217
1-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)-3,3-dimethylbutan-1-one
CID 110409632
N-(4-chlorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline-7-carboxamide
CID 110647107
(1-benzoylpiperidin-4-yl)-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)methanone
CID 110616130
(E)-1-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)-2-methyl-3-phenylprop-2-en-1-one
CID 110616132
7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[4-(dimethylamino)phenyl]methanone
CID 110661408
3-cyclopropyl-1-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)-3-phenylpropan-1-one
CID 110616125
N-[(5S,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-7-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 129347531
4-[4-(dimethylsulfamoyl)phenyl]-N-(oxan-4-yl)piperidine-1-carboxamide
CID 144925862
1-(oxan-4-ylcarbamoyl)piperidine-4-carboxylic acid
CID 43610485

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide?
The IUPAC name of N-(oxan-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide (CID 110607356) is N-(oxan-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide.
What is the SMILES notation for N-(oxan-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide?
The canonical SMILES for N-(oxan-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide is O=C(NC1CCOCC1)N1CCc2cc3c(cc2C1)OCO3.
What is the InChIKey of N-(oxan-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide?
The InChIKey is BOJCBTDEIPJJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c19-16(17-13-2-5-20-6-3-13)18-4-1-11-7-14-15(22-10-21-14)8-12(11)9-18/h7-8,13H,1-6,9-10H2,(H,17,19).
What are the key properties of N-(oxan-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide?
N-(oxan-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide is sourced from PubChem (CID 110607356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).