N-benzyl-5,8-dimethoxy-1-methyl-4-oxoquinoline-2-carboxamide

C20H20N2O4 — CID 142737210

IUPACN-benzyl-5,8-dimethoxy-1-methyl-4-oxoquinoline-2-carboxamide
SMILESCOc1ccc(OC)c2c1c(=O)cc(C(=O)NCc1ccccc1)n2C
InChIInChI=1S/C20H20N2O4/c1-22-14(20(24)21-12-13-7-5-4-6-8-13)11-15(23)18-16(25-2)9-10-17(26-3)19(18)22/h4-11H,12H2,1-3H3,(H,21,24)
InChIKeyYSYCNYALSDUJEP-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.49
Rot. Bonds5

About N-benzyl-5,8-dimethoxy-1-methyl-4-oxoquinoline-2-carboxamide

N-benzyl-5,8-dimethoxy-1-methyl-4-oxoquinoline-2-carboxamide (PubChem CID 142737210) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-benzyl-5,8-dimethoxy-1-methyl-4-oxoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5,8-dimethoxy-1-methyl-4-oxoquinoline-2-carboxamide
PubChem CID142737210
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC NameN-benzyl-5,8-dimethoxy-1-methyl-4-oxoquinoline-2-carboxamide
SMILESCOc1ccc(OC)c2c1c(=O)cc(C(=O)NCc1ccccc1)n2C
InChIInChI=1S/C20H20N2O4/c1-22-14(20(24)21-12-13-7-5-4-6-8-13)11-15(23)18-16(25-2)9-10-17(26-3)19(18)22/h4-11H,12H2,1-3H3,(H,21,24)
InChIKeyYSYCNYALSDUJEP-UHFFFAOYSA-N
XLogP2.49
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5,8-dimethoxy-1-methyl-4-oxoquinoline-2-carboxylate
CID 142737203
N-(3,5-ditert-butylphenyl)-5,8-dimethoxy-1-methyl-4-oxoquinoline-2-carboxamide
CID 142737199
N-[(4-fluorophenyl)methyl]-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide
CID 53369192
N-benzyl-4-methoxy-3-methylbenzamide
CID 17018002
N-benzyl-4-bromo-2-methoxybenzamide
CID 22346886
5-acetamido-N-benzyl-2-methoxybenzamide
CID 110764462
2-(3,4-dimethoxyphenyl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 46464992
N-benzyl-6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 25096901
N-benzyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 7945607
8-anilino-N-benzyl-7-methoxyimidazo[1,2-b]pyridazine-3-carboxamide
CID 69177201
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 46105412
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methylindole-2-carboxamide
CID 55876041

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5,8-dimethoxy-1-methyl-4-oxoquinoline-2-carboxamide?
The IUPAC name of N-benzyl-5,8-dimethoxy-1-methyl-4-oxoquinoline-2-carboxamide (CID 142737210) is N-benzyl-5,8-dimethoxy-1-methyl-4-oxoquinoline-2-carboxamide.
What is the SMILES notation for N-benzyl-5,8-dimethoxy-1-methyl-4-oxoquinoline-2-carboxamide?
The canonical SMILES for N-benzyl-5,8-dimethoxy-1-methyl-4-oxoquinoline-2-carboxamide is COc1ccc(OC)c2c1c(=O)cc(C(=O)NCc1ccccc1)n2C.
What is the InChIKey of N-benzyl-5,8-dimethoxy-1-methyl-4-oxoquinoline-2-carboxamide?
The InChIKey is YSYCNYALSDUJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-22-14(20(24)21-12-13-7-5-4-6-8-13)11-15(23)18-16(25-2)9-10-17(26-3)19(18)22/h4-11H,12H2,1-3H3,(H,21,24).
What are the key properties of N-benzyl-5,8-dimethoxy-1-methyl-4-oxoquinoline-2-carboxamide?
N-benzyl-5,8-dimethoxy-1-methyl-4-oxoquinoline-2-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5,8-dimethoxy-1-methyl-4-oxoquinoline-2-carboxamide is sourced from PubChem (CID 142737210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).