N-(4-chlorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline-7-carboxamide

C18H17ClN2O3 — CID 110647107

IUPACN-(4-chlorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline-7-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCc2cc3c(cc2C1)OCCO3
InChIInChI=1S/C18H17ClN2O3/c19-14-1-3-15(4-2-14)20-18(22)21-6-5-12-9-16-17(10-13(12)11-21)24-8-7-23-16/h1-4,9-10H,5-8,11H2,(H,20,22)
InChIKeyMTBJZGKZBIDGJK-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.70
Rot. Bonds1

About N-(4-chlorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline-7-carboxamide

N-(4-chlorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline-7-carboxamide (PubChem CID 110647107) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline-7-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline-7-carboxamide
PubChem CID110647107
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC NameN-(4-chlorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline-7-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCc2cc3c(cc2C1)OCCO3
InChIInChI=1S/C18H17ClN2O3/c19-14-1-3-15(4-2-14)20-18(22)21-6-5-12-9-16-17(10-13(12)11-21)24-8-7-23-16/h1-4,9-10H,5-8,11H2,(H,20,22)
InChIKeyMTBJZGKZBIDGJK-UHFFFAOYSA-N
XLogP3.70
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-chlorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline-7-carboxamide with MolForge

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Related Compounds

N-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 846926
6-chloro-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 126791579
(3-chlorophenyl)-(3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinolin-7-yl)methanone
CID 110647111
3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinolin-7-yl-(2,3,4-trifluorophenyl)methanone
CID 110647121
4-[(4-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazine-1-carboxamide
CID 17087357
N-(3-carbamoyl-4-fluorophenyl)-7-chloro-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 75434933
7-[(4-chlorophenyl)methoxymethyl]-N-(4-methoxyphenyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 50837945
N-(4-chlorophenyl)-1,3-oxazolidine-3-carboxamide
CID 110749558
N-[1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 73258919
N-cyclopropyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide
CID 110616138
4-[(4-chlorophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-1-carboxamide
CID 46380373
N-(2,3-dimethyl-1-benzofuran-5-yl)-6,7-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 154875961

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline-7-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline-7-carboxamide (CID 110647107) is N-(4-chlorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline-7-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline-7-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline-7-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCc2cc3c(cc2C1)OCCO3.
What is the InChIKey of N-(4-chlorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline-7-carboxamide?
The InChIKey is MTBJZGKZBIDGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c19-14-1-3-15(4-2-14)20-18(22)21-6-5-12-9-16-17(10-13(12)11-21)24-8-7-23-16/h1-4,9-10H,5-8,11H2,(H,20,22).
What are the key properties of N-(4-chlorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline-7-carboxamide?
N-(4-chlorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline-7-carboxamide has a molecular weight of 344.80 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline-7-carboxamide is sourced from PubChem (CID 110647107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).