4-hydroxy-6,7-dimethoxy-N-[(2-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide

C20H20N2O6 — CID 54682411

IUPAC4-hydroxy-6,7-dimethoxy-N-[(2-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1c(O)c2cc(OC)c(OC)cc2[nH]c1=O
InChIInChI=1S/C20H20N2O6/c1-26-14-7-5-4-6-11(14)10-21-19(24)17-18(23)12-8-15(27-2)16(28-3)9-13(12)22-20(17)25/h4-9H,10H2,1-3H3,(H,21,24)(H2,22,23,25)
InChIKeyJUBWHGIVIUFWGS-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.19
Rot. Bonds6

About 4-hydroxy-6,7-dimethoxy-N-[(2-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide

4-hydroxy-6,7-dimethoxy-N-[(2-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 54682411) has the molecular formula C20H20N2O6 and a molecular weight of 384.39 g/mol. Its IUPAC name is 4-hydroxy-6,7-dimethoxy-N-[(2-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-6,7-dimethoxy-N-[(2-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
PubChem CID54682411
Molecular FormulaC20H20N2O6
Molecular Weight384.39 g/mol
Exact Mass384.13
IUPAC Name4-hydroxy-6,7-dimethoxy-N-[(2-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1c(O)c2cc(OC)c(OC)cc2[nH]c1=O
InChIInChI=1S/C20H20N2O6/c1-26-14-7-5-4-6-11(14)10-21-19(24)17-18(23)12-8-15(27-2)16(28-3)9-13(12)22-20(17)25/h4-9H,10H2,1-3H3,(H,21,24)(H2,22,23,25)
InChIKeyJUBWHGIVIUFWGS-UHFFFAOYSA-N
XLogP2.19
TPSA109.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
CID 9825181
N-[2-(4-hydroxyphenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
CID 11697527
2-hydroxy-N-(4-methoxybenzyl)-1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
CID 54676949
4,5-dimethoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]benzoic acid
CID 804546
1-allyl-N-(benzo[d][1,3]dioxol-5-ylmethyl)-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54679959
1-Ethyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid 3,4-dimethoxy-benzylamide
CID 54683760
4-hydroxy-N-(4-methoxyphenethyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54683795
1-ethyl-2-hydroxy-N-(4-methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
CID 54692913
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-oxo-1-propyl-1,4-dihydroquinoline-3-carboxamide
CID 54706880
2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-4-oxo-1-propyl-1,4-dihydroquinoline-3-carboxamide
CID 54707572
2-(6,7-dimethoxy-2-oxo-3-((phenylamino)methyl)quinolin-1(2H)-yl)-N-(2-methoxyphenyl)acetamide
CID 16022880
2-{6,7-dimethoxy-2-oxo-3-[(phenylamino)methyl]-1,2-dihydroquinolin-1-yl}-N-(3,5-dimethylphenyl)acetamide
CID 16022888

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6,7-dimethoxy-N-[(2-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-6,7-dimethoxy-N-[(2-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide (CID 54682411) is 4-hydroxy-6,7-dimethoxy-N-[(2-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-6,7-dimethoxy-N-[(2-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-6,7-dimethoxy-N-[(2-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide is COc1ccccc1CNC(=O)c1c(O)c2cc(OC)c(OC)cc2[nH]c1=O.
What is the InChIKey of 4-hydroxy-6,7-dimethoxy-N-[(2-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is JUBWHGIVIUFWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6/c1-26-14-7-5-4-6-11(14)10-21-19(24)17-18(23)12-8-15(27-2)16(28-3)9-13(12)22-20(17)25/h4-9H,10H2,1-3H3,(H,21,24)(H2,22,23,25).
What are the key properties of 4-hydroxy-6,7-dimethoxy-N-[(2-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide?
4-hydroxy-6,7-dimethoxy-N-[(2-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 384.39 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6,7-dimethoxy-N-[(2-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54682411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).