N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-2-pyridin-3-ylquinoline-4-carboxamide

C25H20N4O3 — CID 55815215

IUPACN-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(NCc1cccc(N2CCOC2=O)c1)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C25H20N4O3/c30-24(27-15-17-5-3-7-19(13-17)29-11-12-32-25(29)31)21-14-23(18-6-4-10-26-16-18)28-22-9-2-1-8-20(21)22/h1-10,13-14,16H,11-12,15H2,(H,27,30)
InChIKeyUOIWLCSWQLMIOB-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.18
Rot. Bonds5

About N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-2-pyridin-3-ylquinoline-4-carboxamide

N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 55815215) has the molecular formula C25H20N4O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID55815215
Molecular FormulaC25H20N4O3
Molecular Weight424.46 g/mol
Exact Mass424.15
IUPAC NameN-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(NCc1cccc(N2CCOC2=O)c1)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C25H20N4O3/c30-24(27-15-17-5-3-7-19(13-17)29-11-12-32-25(29)31)21-14-23(18-6-4-10-26-16-18)28-22-9-2-1-8-20(21)22/h1-10,13-14,16H,11-12,15H2,(H,27,30)
InChIKeyUOIWLCSWQLMIOB-UHFFFAOYSA-N
XLogP4.18
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422
N-[(3-carbamoylphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 32636575
N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 55814453
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 24612002
N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53007972
5-bromo-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyridine-3-carboxamide
CID 55814674
2-(furan-2-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]quinoline-4-carboxamide
CID 39004028
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
3-[3-(pyridin-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one
CID 43727252
N-[(5-methyl-1,3-oxazol-4-yl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 71905944
N-[(4-propan-2-yloxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798269
2-(4-bromophenyl)sulfanyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyridine-3-carboxamide
CID 55932705

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-2-pyridin-3-ylquinoline-4-carboxamide (CID 55815215) is N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-2-pyridin-3-ylquinoline-4-carboxamide is O=C(NCc1cccc(N2CCOC2=O)c1)c1cc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is UOIWLCSWQLMIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3/c30-24(27-15-17-5-3-7-19(13-17)29-11-12-32-25(29)31)21-14-23(18-6-4-10-26-16-18)28-22-9-2-1-8-20(21)22/h1-10,13-14,16H,11-12,15H2,(H,27,30).
What are the key properties of N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-2-pyridin-3-ylquinoline-4-carboxamide?
N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 55815215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).