3,4,5-trimethoxy-N-(8-propoxyquinolin-5-yl)benzamide

C22H24N2O5 — CID 26823282

IUPAC3,4,5-trimethoxy-N-(8-propoxyquinolin-5-yl)benzamide
SMILESCCCOc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c2cccnc12
InChIInChI=1S/C22H24N2O5/c1-5-11-29-17-9-8-16(15-7-6-10-23-20(15)17)24-22(25)14-12-18(26-2)21(28-4)19(13-14)27-3/h6-10,12-13H,5,11H2,1-4H3,(H,24,25)
InChIKeyAKAHLLWECKNEGB-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.30
Rot. Bonds8

About 3,4,5-trimethoxy-N-(8-propoxyquinolin-5-yl)benzamide

3,4,5-trimethoxy-N-(8-propoxyquinolin-5-yl)benzamide (PubChem CID 26823282) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(8-propoxyquinolin-5-yl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(8-propoxyquinolin-5-yl)benzamide
PubChem CID26823282
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name3,4,5-trimethoxy-N-(8-propoxyquinolin-5-yl)benzamide
SMILESCCCOc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c2cccnc12
InChIInChI=1S/C22H24N2O5/c1-5-11-29-17-9-8-16(15-7-6-10-23-20(15)17)24-22(25)14-12-18(26-2)21(28-4)19(13-14)27-3/h6-10,12-13H,5,11H2,1-4H3,(H,24,25)
InChIKeyAKAHLLWECKNEGB-UHFFFAOYSA-N
XLogP4.30
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(8-methoxyquinolin-5-yl)-3-propoxybenzamide
CID 26823105
2,2-dimethyl-N-(8-propoxyquinolin-5-yl)propanamide
CID 100773580
2-bromo-N-(8-propoxyquinolin-5-yl)benzamide
CID 26823266
2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)propanamide
CID 100775972
2-butoxy-N-(8-methoxyquinolin-5-yl)benzamide
CID 26823129
N-(8-methoxyquinolin-5-yl)-3-methylbenzamide
CID 26823022
(2S)-2-methoxy-2-methyl-N-(8-propoxyquinolin-5-yl)butanamide
CID 100774129
3,4,6-trimethyl-N-(8-propoxyquinolin-5-yl)-1-benzofuran-2-carboxamide
CID 39867526
2-methyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide
CID 133205908
(E)-3-(4-methoxyphenyl)-N-(8-propoxyquinolin-5-yl)prop-2-enamide
CID 39834689
2-(dimethylamino)-N-(8-methoxyquinolin-5-yl)pyridine-4-carboxamide
CID 71886791
N-ethyl-8-propoxyquinolin-5-amine
CID 82264799

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(8-propoxyquinolin-5-yl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(8-propoxyquinolin-5-yl)benzamide (CID 26823282) is 3,4,5-trimethoxy-N-(8-propoxyquinolin-5-yl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(8-propoxyquinolin-5-yl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(8-propoxyquinolin-5-yl)benzamide is CCCOc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c2cccnc12.
What is the InChIKey of 3,4,5-trimethoxy-N-(8-propoxyquinolin-5-yl)benzamide?
The InChIKey is AKAHLLWECKNEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-5-11-29-17-9-8-16(15-7-6-10-23-20(15)17)24-22(25)14-12-18(26-2)21(28-4)19(13-14)27-3/h6-10,12-13H,5,11H2,1-4H3,(H,24,25).
What are the key properties of 3,4,5-trimethoxy-N-(8-propoxyquinolin-5-yl)benzamide?
3,4,5-trimethoxy-N-(8-propoxyquinolin-5-yl)benzamide has a molecular weight of 396.44 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(8-propoxyquinolin-5-yl)benzamide is sourced from PubChem (CID 26823282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).