3-methoxy-N-[1-(2-oxo-1H-pyridin-3-yl)propyl]-2-phenylquinoline-4-carboxamide

C25H23N3O3 — CID 140531561

IUPAC3-methoxy-N-[1-(2-oxo-1H-pyridin-3-yl)propyl]-2-phenylquinoline-4-carboxamide
SMILESCCC(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccc[nH]c1=O
InChIInChI=1S/C25H23N3O3/c1-3-19(18-13-9-15-26-24(18)29)28-25(30)21-17-12-7-8-14-20(17)27-22(23(21)31-2)16-10-5-4-6-11-16/h4-15,19H,3H2,1-2H3,(H,26,29)(H,28,30)
InChIKeyXAQFLNKUVDTLEZ-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.48
Rot. Bonds6

About 3-methoxy-N-[1-(2-oxo-1H-pyridin-3-yl)propyl]-2-phenylquinoline-4-carboxamide

3-methoxy-N-[1-(2-oxo-1H-pyridin-3-yl)propyl]-2-phenylquinoline-4-carboxamide (PubChem CID 140531561) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 3-methoxy-N-[1-(2-oxo-1H-pyridin-3-yl)propyl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[1-(2-oxo-1H-pyridin-3-yl)propyl]-2-phenylquinoline-4-carboxamide
PubChem CID140531561
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name3-methoxy-N-[1-(2-oxo-1H-pyridin-3-yl)propyl]-2-phenylquinoline-4-carboxamide
SMILESCCC(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccc[nH]c1=O
InChIInChI=1S/C25H23N3O3/c1-3-19(18-13-9-15-26-24(18)29)28-25(30)21-17-12-7-8-14-20(17)27-22(23(21)31-2)16-10-5-4-6-11-16/h4-15,19H,3H2,1-2H3,(H,26,29)(H,28,30)
InChIKeyXAQFLNKUVDTLEZ-UHFFFAOYSA-N
XLogP4.48
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-(2-oxo-1H-pyridin-3-yl)propyl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of 3-methoxy-N-[1-(2-oxo-1H-pyridin-3-yl)propyl]-2-phenylquinoline-4-carboxamide (CID 140531561) is 3-methoxy-N-[1-(2-oxo-1H-pyridin-3-yl)propyl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for 3-methoxy-N-[1-(2-oxo-1H-pyridin-3-yl)propyl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for 3-methoxy-N-[1-(2-oxo-1H-pyridin-3-yl)propyl]-2-phenylquinoline-4-carboxamide is CCC(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccc[nH]c1=O.
What is the InChIKey of 3-methoxy-N-[1-(2-oxo-1H-pyridin-3-yl)propyl]-2-phenylquinoline-4-carboxamide?
The InChIKey is XAQFLNKUVDTLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-3-19(18-13-9-15-26-24(18)29)28-25(30)21-17-12-7-8-14-20(17)27-22(23(21)31-2)16-10-5-4-6-11-16/h4-15,19H,3H2,1-2H3,(H,26,29)(H,28,30).
What are the key properties of 3-methoxy-N-[1-(2-oxo-1H-pyridin-3-yl)propyl]-2-phenylquinoline-4-carboxamide?
3-methoxy-N-[1-(2-oxo-1H-pyridin-3-yl)propyl]-2-phenylquinoline-4-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-(2-oxo-1H-pyridin-3-yl)propyl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 140531561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).