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

C26H30N2O4S — CID 42482769

IUPACN-(3-methoxypropyl)-N-[(6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]cyclohexanecarboxamide
SMILESCOCCCN(Cc1cc2cc3c(cc2nc1-c1cccs1)OCO3)C(=O)C1CCCCC1
InChIInChI=1S/C26H30N2O4S/c1-30-11-6-10-28(26(29)18-7-3-2-4-8-18)16-20-13-19-14-22-23(32-17-31-22)15-21(19)27-25(20)24-9-5-12-33-24/h5,9,12-15,18H,2-4,6-8,10-11,16-17H2,1H3
InChIKeyAPAHIGIIPYQLLS-UHFFFAOYSA-N
MW466.60 g/mol
LogP5.64
Rot. Bonds8

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

N-(3-methoxypropyl)-N-[(6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]cyclohexanecarboxamide (PubChem CID 42482769) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N-[(6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N-[(6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]cyclohexanecarboxamide
PubChem CID42482769
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC NameN-(3-methoxypropyl)-N-[(6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]cyclohexanecarboxamide
SMILESCOCCCN(Cc1cc2cc3c(cc2nc1-c1cccs1)OCO3)C(=O)C1CCCCC1
InChIInChI=1S/C26H30N2O4S/c1-30-11-6-10-28(26(29)18-7-3-2-4-8-18)16-20-13-19-14-22-23(32-17-31-22)15-21(19)27-25(20)24-9-5-12-33-24/h5,9,12-15,18H,2-4,6-8,10-11,16-17H2,1H3
InChIKeyAPAHIGIIPYQLLS-UHFFFAOYSA-N
XLogP5.64
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.60
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)cyclohexanecarboxamide
CID 4992942
N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)cyclopentanecarboxamide
CID 3691170
N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 3216993
N-(3-methoxypropyl)-N-(pyridin-4-ylmethyl)cyclopentanecarboxamide
CID 56782285
N-(3-methoxypropyl)-5,6-dimethyl-N-[[6-(2-methylphenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 45210172
methyl 2-[[cyclohexanecarbonyl(3-methoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 42766774
3-fluoro-N-(3-methoxypropyl)-N-[[6-(2-methylphenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]benzamide
CID 42278089
N-(3-methoxypropyl)-2,5-dimethyl-N-[[6-(2-methylphenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]pyrazole-3-carboxamide
CID 26355965
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
N-[[6-(3-chlorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-(2-methoxyethyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 25465139
2-cyclopentyl-N-[2-(dimethylamino)ethyl]-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]acetamide
CID 26356379
N-[[7-methoxy-2-(2-methylphenyl)quinolin-3-yl]methyl]-N-(3-methoxypropyl)oxolane-2-carboxamide
CID 45240875

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N-[(6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-(3-methoxypropyl)-N-[(6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]cyclohexanecarboxamide (CID 42482769) is N-(3-methoxypropyl)-N-[(6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-N-[(6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-(3-methoxypropyl)-N-[(6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]cyclohexanecarboxamide is COCCCN(Cc1cc2cc3c(cc2nc1-c1cccs1)OCO3)C(=O)C1CCCCC1.
What is the InChIKey of N-(3-methoxypropyl)-N-[(6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]cyclohexanecarboxamide?
The InChIKey is APAHIGIIPYQLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-30-11-6-10-28(26(29)18-7-3-2-4-8-18)16-20-13-19-14-22-23(32-17-31-22)15-21(19)27-25(20)24-9-5-12-33-24/h5,9,12-15,18H,2-4,6-8,10-11,16-17H2,1H3.
What are the key properties of N-(3-methoxypropyl)-N-[(6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]cyclohexanecarboxamide?
N-(3-methoxypropyl)-N-[(6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]cyclohexanecarboxamide has a molecular weight of 466.60 g/mol, XLogP of 5.64, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N-[(6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 42482769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).