N-(3-methoxypropyl)-2,5-dimethyl-N-[[6-(2-methylphenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]pyrazole-3-carboxamide

C28H30N4O4 — CID 26355965

IUPACN-(3-methoxypropyl)-2,5-dimethyl-N-[[6-(2-methylphenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]pyrazole-3-carboxamide
SMILESCOCCCN(Cc1cc2cc3c(cc2nc1-c1ccccc1C)OCO3)C(=O)c1cc(C)nn1C
InChIInChI=1S/C28H30N4O4/c1-18-8-5-6-9-22(18)27-21(13-20-14-25-26(36-17-35-25)15-23(20)29-27)16-32(10-7-11-34-4)28(33)24-12-19(2)30-31(24)3/h5-6,8-9,12-15H,7,10-11,16-17H2,1-4H3
InChIKeyJZPQDMCVFJMOGP-UHFFFAOYSA-N
MW486.57 g/mol
LogP4.66
Rot. Bonds8

About N-(3-methoxypropyl)-2,5-dimethyl-N-[[6-(2-methylphenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]pyrazole-3-carboxamide

N-(3-methoxypropyl)-2,5-dimethyl-N-[[6-(2-methylphenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]pyrazole-3-carboxamide (PubChem CID 26355965) has the molecular formula C28H30N4O4 and a molecular weight of 486.57 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2,5-dimethyl-N-[[6-(2-methylphenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2,5-dimethyl-N-[[6-(2-methylphenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]pyrazole-3-carboxamide
PubChem CID26355965
Molecular FormulaC28H30N4O4
Molecular Weight486.57 g/mol
Exact Mass486.23
IUPAC NameN-(3-methoxypropyl)-2,5-dimethyl-N-[[6-(2-methylphenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]pyrazole-3-carboxamide
SMILESCOCCCN(Cc1cc2cc3c(cc2nc1-c1ccccc1C)OCO3)C(=O)c1cc(C)nn1C
InChIInChI=1S/C28H30N4O4/c1-18-8-5-6-9-22(18)27-21(13-20-14-25-26(36-17-35-25)15-23(20)29-27)16-32(10-7-11-34-4)28(33)24-12-19(2)30-31(24)3/h5-6,8-9,12-15H,7,10-11,16-17H2,1-4H3
InChIKeyJZPQDMCVFJMOGP-UHFFFAOYSA-N
XLogP4.66
TPSA78.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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)-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
N-[[7-methoxy-2-(2-methylphenyl)quinolin-3-yl]methyl]-N-(3-methoxypropyl)oxolane-2-carboxamide
CID 45240875
N-[[6,7-dimethoxy-2-(3-methoxyphenyl)quinolin-3-yl]methyl]-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
CID 42484326
N-(3-methoxypropyl)-N-[(6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]cyclohexanecarboxamide
CID 42482769
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
N-[2-(dimethylamino)ethyl]-2,5-dimethyl-N-[[2-(3-methylphenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]pyrazole-3-carboxamide
CID 42480572
N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 3216993
2,5-dimethyl-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 45222890
N-(1,3-benzodioxol-5-ylmethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 42784651
N-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide
CID 42397899
N-butyl-N-(2-hydroxyethyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61059239

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2,5-dimethyl-N-[[6-(2-methylphenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 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) is N-(3-methoxypropyl)-2,5-dimethyl-N-[[6-(2-methylphenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-2,5-dimethyl-N-[[6-(2-methylphenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-2,5-dimethyl-N-[[6-(2-methylphenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]pyrazole-3-carboxamide is COCCCN(Cc1cc2cc3c(cc2nc1-c1ccccc1C)OCO3)C(=O)c1cc(C)nn1C.
What is the InChIKey of N-(3-methoxypropyl)-2,5-dimethyl-N-[[6-(2-methylphenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]pyrazole-3-carboxamide?
The InChIKey is JZPQDMCVFJMOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O4/c1-18-8-5-6-9-22(18)27-21(13-20-14-25-26(36-17-35-25)15-23(20)29-27)16-32(10-7-11-34-4)28(33)24-12-19(2)30-31(24)3/h5-6,8-9,12-15H,7,10-11,16-17H2,1-4H3.
What are the key properties of N-(3-methoxypropyl)-2,5-dimethyl-N-[[6-(2-methylphenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]pyrazole-3-carboxamide?
N-(3-methoxypropyl)-2,5-dimethyl-N-[[6-(2-methylphenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]pyrazole-3-carboxamide has a molecular weight of 486.57 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2,5-dimethyl-N-[[6-(2-methylphenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 26355965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).