2-(oxan-4-yl)quinoline-3,6-dicarboxamide

C16H17N3O3 — CID 143021884

IUPAC2-(oxan-4-yl)quinoline-3,6-dicarboxamide
SMILESNC(=O)c1ccc2nc(C3CCOCC3)c(C(N)=O)cc2c1
InChIInChI=1S/C16H17N3O3/c17-15(20)10-1-2-13-11(7-10)8-12(16(18)21)14(19-13)9-3-5-22-6-4-9/h1-2,7-9H,3-6H2,(H2,17,20)(H2,18,21)
InChIKeyHJCFEUSSIMMSIP-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.33
Rot. Bonds3

About 2-(oxan-4-yl)quinoline-3,6-dicarboxamide

2-(oxan-4-yl)quinoline-3,6-dicarboxamide (PubChem CID 143021884) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-(oxan-4-yl)quinoline-3,6-dicarboxamide.

Molecular Properties

Compound Name2-(oxan-4-yl)quinoline-3,6-dicarboxamide
PubChem CID143021884
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name2-(oxan-4-yl)quinoline-3,6-dicarboxamide
SMILESNC(=O)c1ccc2nc(C3CCOCC3)c(C(N)=O)cc2c1
InChIInChI=1S/C16H17N3O3/c17-15(20)10-1-2-13-11(7-10)8-12(16(18)21)14(19-13)9-3-5-22-6-4-9/h1-2,7-9H,3-6H2,(H2,17,20)(H2,18,21)
InChIKeyHJCFEUSSIMMSIP-UHFFFAOYSA-N
XLogP1.33
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methylcinnoline-6-carboxamide
CID 175807286
5-(oxan-4-yl)pyridine-3-carboxamide
CID 175967807
5,6,7,8-tetrahydroacridine-2-carboxamide
CID 155319967
6-fluoro-2-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
CID 110238177
2-[1-(2-cyclohexylacetyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide
CID 110238096
2-[1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide
CID 110238250
2-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
CID 150676654
6-fluoro-2-[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
CID 110238135
2,1,3-benzoxadiazole-5-carboxamide
CID 22335030
3-hydroxynaphthalene-2,7-dicarboxamide;propane
CID 91265869
2-[(3S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-3-yl]quinoline-3-carboxamide
CID 95856590
6-methyl-2-[4-[(4-methyloxan-4-yl)amino]piperidin-1-yl]quinoline-3-carboxamide
CID 144575495

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)quinoline-3,6-dicarboxamide?
The IUPAC name of 2-(oxan-4-yl)quinoline-3,6-dicarboxamide (CID 143021884) is 2-(oxan-4-yl)quinoline-3,6-dicarboxamide.
What is the SMILES notation for 2-(oxan-4-yl)quinoline-3,6-dicarboxamide?
The canonical SMILES for 2-(oxan-4-yl)quinoline-3,6-dicarboxamide is NC(=O)c1ccc2nc(C3CCOCC3)c(C(N)=O)cc2c1.
What is the InChIKey of 2-(oxan-4-yl)quinoline-3,6-dicarboxamide?
The InChIKey is HJCFEUSSIMMSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c17-15(20)10-1-2-13-11(7-10)8-12(16(18)21)14(19-13)9-3-5-22-6-4-9/h1-2,7-9H,3-6H2,(H2,17,20)(H2,18,21).
What are the key properties of 2-(oxan-4-yl)quinoline-3,6-dicarboxamide?
2-(oxan-4-yl)quinoline-3,6-dicarboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)quinoline-3,6-dicarboxamide is sourced from PubChem (CID 143021884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).