N-[(2-methoxyphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C18H20N2O3 — CID 18427603

IUPACN-[(2-methoxyphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1c[nH]c2c(c1=O)CCCC2
InChIInChI=1S/C18H20N2O3/c1-23-16-9-5-2-6-12(16)10-20-18(22)14-11-19-15-8-4-3-7-13(15)17(14)21/h2,5-6,9,11H,3-4,7-8,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyNVIYZINVGPIEJZ-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.19
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

N-[(2-methoxyphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 18427603) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID18427603
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1c[nH]c2c(c1=O)CCCC2
InChIInChI=1S/C18H20N2O3/c1-23-16-9-5-2-6-12(16)10-20-18(22)14-11-19-15-8-4-3-7-13(15)17(14)21/h2,5-6,9,11H,3-4,7-8,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyNVIYZINVGPIEJZ-UHFFFAOYSA-N
XLogP2.19
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 32736105
2-iodo-N-[(2-methoxyphenyl)methyl]benzamide
CID 1378811
2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912738
5-methoxy-N-[(2-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113205982
3-hydroxy-N-[(2-methoxyphenyl)methyl]-2-methylbenzamide
CID 82786350
4-methoxy-N-[(2-methoxyphenyl)methyl]-2,5-dimethylbenzamide
CID 110761590
2-benzamido-N-[(2-methoxyphenyl)methyl]benzamide
CID 9404635
2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335
N-[(2-methoxyphenyl)methyl]-2-methylsulfonylbenzamide
CID 18081414
6-[(4-ethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 4100412
[2-[(2-methoxyphenyl)methylcarbamoyl]phenyl] acetate
CID 3362065
N-[(2-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 18189509

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 18427603) is N-[(2-methoxyphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is COc1ccccc1CNC(=O)c1c[nH]c2c(c1=O)CCCC2.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is NVIYZINVGPIEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-23-16-9-5-2-6-12(16)10-20-18(22)14-11-19-15-8-4-3-7-13(15)17(14)21/h2,5-6,9,11H,3-4,7-8,10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
N-[(2-methoxyphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 18427603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).