N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide

C21H22N2O5 — CID 645639

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc2c(=O)c(C(=O)NCCc3ccc(OC)c(OC)c3)c[nH]c2c1
InChIInChI=1S/C21H22N2O5/c1-26-14-5-6-15-17(11-14)23-12-16(20(15)24)21(25)22-9-8-13-4-7-18(27-2)19(10-13)28-3/h4-7,10-12H,8-9H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyMCYRLOPNUHGAPO-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.53
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 645639) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide
PubChem CID645639
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc2c(=O)c(C(=O)NCCc3ccc(OC)c(OC)c3)c[nH]c2c1
InChIInChI=1S/C21H22N2O5/c1-26-14-5-6-15-17(11-14)23-12-16(20(15)24)21(25)22-9-8-13-4-7-18(27-2)19(10-13)28-3/h4-7,10-12H,8-9H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyMCYRLOPNUHGAPO-UHFFFAOYSA-N
XLogP2.53
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Decoquinate
CID 29112
Ecabapide
CID 65885
Buquinolate
CID 21651
6-Ethoxy-4-hydroxy-quinoline-3-carboxylic acid benzylamide
CID 18473135
3-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-1-(4-methoxyphenyl)-1-propanone
CID 766936
7-Methoxy-2-phenyl-quinolin-4-ol
CID 289743
methyl 4-oxo-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate
CID 140877893
methyl 4-oxo-7-(3-phenylpropoxy)-1H-quinoline-3-carboxylate
CID 140877936
6-ethoxy-N-(3-ethoxypropyl)-4-oxo-1H-quinoline-3-carboxamide
CID 3217688
2-(3,4-dimethoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 484122
6,7-Dimethoxy-4-hydroxyquinoline
CID 459611
Proquinolate
CID 15547

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide (CID 645639) is N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide is COc1ccc2c(=O)c(C(=O)NCCc3ccc(OC)c(OC)c3)c[nH]c2c1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is MCYRLOPNUHGAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-26-14-5-6-15-17(11-14)23-12-16(20(15)24)21(25)22-9-8-13-4-7-18(27-2)19(10-13)28-3/h4-7,10-12H,8-9H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 645639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).