N-(1,3-benzodioxol-5-yl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide

C23H24N2O6 — CID 91347123

IUPACN-(1,3-benzodioxol-5-yl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
SMILESCCCCCOc1c(OC)ccc2cc(C(=O)Nc3ccc4c(c3)OCO4)c(=O)[nH]c12
InChIInChI=1S/C23H24N2O6/c1-3-4-5-10-29-21-18(28-2)8-6-14-11-16(23(27)25-20(14)21)22(26)24-15-7-9-17-19(12-15)31-13-30-17/h6-9,11-12H,3-5,10,13H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyGKSIACOVSCJCQB-UHFFFAOYSA-N
MW424.45 g/mol
LogP4.09
Rot. Bonds8

About N-(1,3-benzodioxol-5-yl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide

N-(1,3-benzodioxol-5-yl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide (PubChem CID 91347123) has the molecular formula C23H24N2O6 and a molecular weight of 424.45 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
PubChem CID91347123
Molecular FormulaC23H24N2O6
Molecular Weight424.45 g/mol
Exact Mass424.16
IUPAC NameN-(1,3-benzodioxol-5-yl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
SMILESCCCCCOc1c(OC)ccc2cc(C(=O)Nc3ccc4c(c3)OCO4)c(=O)[nH]c12
InChIInChI=1S/C23H24N2O6/c1-3-4-5-10-29-21-18(28-2)8-6-14-11-16(23(27)25-20(14)21)22(26)24-15-7-9-17-19(12-15)31-13-30-17/h6-9,11-12H,3-5,10,13H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyGKSIACOVSCJCQB-UHFFFAOYSA-N
XLogP4.09
TPSA98.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 54.09
H-Bond Donors ≤ 52
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-aminophenyl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
CID 11509456
N-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-2-oxo-6-pentoxy-1H-quinoline-3-carboxamide
CID 23555608
N-[2-(4-aminophenyl)ethyl]-8-butoxy-7-methoxy-2-oxo-1H-quinoline-3-carboxamide
CID 70685024
benzyl 1-[(7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carbonyl)amino]cyclopentane-1-carboxylate
CID 11306720
N-(1,3-benzodioxol-5-yl)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide
CID 3433192
N-(1,3-benzodioxol-5-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 39877251
N-(1,3-benzodioxol-5-yl)-2-methoxy-5-phenylbenzamide
CID 110426304
N-(1,3-benzodioxol-5-yl)-3,5-dimethoxy-4-methylbenzamide
CID 2640874
N-(1,3-benzodioxol-5-yl)-4-bromo-2-methoxybenzamide
CID 78987803
N-(1,3-benzodioxol-5-yl)-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide
CID 30149167
N-(1,3-benzodioxol-5-yl)-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide
CID 4897686
N-(3,4-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 16619123

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide (CID 91347123) is N-(1,3-benzodioxol-5-yl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide is CCCCCOc1c(OC)ccc2cc(C(=O)Nc3ccc4c(c3)OCO4)c(=O)[nH]c12.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide?
The InChIKey is GKSIACOVSCJCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O6/c1-3-4-5-10-29-21-18(28-2)8-6-14-11-16(23(27)25-20(14)21)22(26)24-15-7-9-17-19(12-15)31-13-30-17/h6-9,11-12H,3-5,10,13H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-(1,3-benzodioxol-5-yl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide has a molecular weight of 424.45 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide is sourced from PubChem (CID 91347123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).