N-methyl-1-(1,2-oxazol-3-yl)-N-[(6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]methanamine

C20H17N3O3S — CID 70762426

IUPACN-methyl-1-(1,2-oxazol-3-yl)-N-[(6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]methanamine
SMILESCN(Cc1ccon1)Cc1cc2cc3c(cc2nc1-c1cccs1)OCO3
InChIInChI=1S/C20H17N3O3S/c1-23(11-15-4-5-26-22-15)10-14-7-13-8-17-18(25-12-24-17)9-16(13)21-20(14)19-3-2-6-27-19/h2-9H,10-12H2,1H3
InChIKeyXNSMBVFUOQXURD-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.31
Rot. Bonds5

About N-methyl-1-(1,2-oxazol-3-yl)-N-[(6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]methanamine

N-methyl-1-(1,2-oxazol-3-yl)-N-[(6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]methanamine (PubChem CID 70762426) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-methyl-1-(1,2-oxazol-3-yl)-N-[(6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(1,2-oxazol-3-yl)-N-[(6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]methanamine
PubChem CID70762426
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC NameN-methyl-1-(1,2-oxazol-3-yl)-N-[(6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]methanamine
SMILESCN(Cc1ccon1)Cc1cc2cc3c(cc2nc1-c1cccs1)OCO3
InChIInChI=1S/C20H17N3O3S/c1-23(11-15-4-5-26-22-15)10-14-7-13-8-17-18(25-12-24-17)9-16(13)21-20(14)19-3-2-6-27-19/h2-9H,10-12H2,1H3
InChIKeyXNSMBVFUOQXURD-UHFFFAOYSA-N
XLogP4.31
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-methyl-1-(1,2-oxazol-3-yl)-N-[(6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]methanamine with MolForge

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Related Compounds

N-(3-methoxypropyl)-N-[(6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]cyclohexanecarboxamide
CID 42482769
2-(8-methyl-6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic acid
CID 18073411
N-[[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-1-thiophen-2-ylmethanamine
CID 26336142
2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-thiophen-2-ylquinoxaline
CID 10499889
N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine
CID 29151725
5-(1,3-benzodioxol-5-yl)-4-thiophen-2-ylpyrimidine
CID 141147881
N-(1,2-oxazol-3-ylmethyl)-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
CID 106539182
N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 3216993
N-(1,3-benzodioxol-5-ylmethyl)-2,3-dithiophen-2-ylquinoxaline-6-carboxamide
CID 1329977
1-(2,4-difluorophenyl)-N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine
CID 134001654
1-[[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]methyl]cyclopentan-1-ol
CID 115758441
N-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanamine
CID 70748980

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1,2-oxazol-3-yl)-N-[(6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-(1,2-oxazol-3-yl)-N-[(6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]methanamine (CID 70762426) is N-methyl-1-(1,2-oxazol-3-yl)-N-[(6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(1,2-oxazol-3-yl)-N-[(6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(1,2-oxazol-3-yl)-N-[(6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]methanamine is CN(Cc1ccon1)Cc1cc2cc3c(cc2nc1-c1cccs1)OCO3.
What is the InChIKey of N-methyl-1-(1,2-oxazol-3-yl)-N-[(6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]methanamine?
The InChIKey is XNSMBVFUOQXURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-23(11-15-4-5-26-22-15)10-14-7-13-8-17-18(25-12-24-17)9-16(13)21-20(14)19-3-2-6-27-19/h2-9H,10-12H2,1H3.
What are the key properties of N-methyl-1-(1,2-oxazol-3-yl)-N-[(6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]methanamine?
N-methyl-1-(1,2-oxazol-3-yl)-N-[(6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]methanamine has a molecular weight of 379.44 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1,2-oxazol-3-yl)-N-[(6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]methanamine is sourced from PubChem (CID 70762426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).