N-[(6-methoxy-3-pyridinyl)methyl]-2-oxo-1H-quinoline-3-carboxamide

C17H15N3O3 — CID 16613259

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3ccccc3[nH]c2=O)cn1
InChIInChI=1S/C17H15N3O3/c1-23-15-7-6-11(9-18-15)10-19-16(21)13-8-12-4-2-3-5-14(12)20-17(13)22/h2-9H,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyCYMLTDCEWUFQQK-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.86
Rot. Bonds4

About N-[(6-methoxy-3-pyridinyl)methyl]-2-oxo-1H-quinoline-3-carboxamide

N-[(6-methoxy-3-pyridinyl)methyl]-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 16613259) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
PubChem CID16613259
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3ccccc3[nH]c2=O)cn1
InChIInChI=1S/C17H15N3O3/c1-23-15-7-6-11(9-18-15)10-19-16(21)13-8-12-4-2-3-5-14(12)20-17(13)22/h2-9H,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyCYMLTDCEWUFQQK-UHFFFAOYSA-N
XLogP1.86
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-butoxy-3-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 55694019
N-[(4-chlorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 123757934
N-[(4-bromophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 142731957
N-[(3,4-dihydroxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 142731918
2-amino-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 61250537
2-oxo-N-(pyridin-2-ylmethyl)-1H-quinoline-3-carboxamide
CID 16589995
N-[(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 107261569
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
2-benzyl-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 51316857
N-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 16613028
2,5-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 47136692
2,4-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 47136619

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-2-oxo-1H-quinoline-3-carboxamide (CID 16613259) is N-[(6-methoxy-3-pyridinyl)methyl]-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-2-oxo-1H-quinoline-3-carboxamide is COc1ccc(CNC(=O)c2cc3ccccc3[nH]c2=O)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is CYMLTDCEWUFQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-23-15-7-6-11(9-18-15)10-19-16(21)13-8-12-4-2-3-5-14(12)20-17(13)22/h2-9H,10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-2-oxo-1H-quinoline-3-carboxamide?
N-[(6-methoxy-3-pyridinyl)methyl]-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 16613259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).