(5R)-5-hydroxy-2-oxo-N-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C13H18N2O3 — CID 51471038

IUPAC(5R)-5-hydroxy-2-oxo-N-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC(C)NC(=O)c1cc2c([nH]c1=O)CCC[C@H]2O
InChIInChI=1S/C13H18N2O3/c1-7(2)14-12(17)9-6-8-10(15-13(9)18)4-3-5-11(8)16/h6-7,11,16H,3-5H2,1-2H3,(H,14,17)(H,15,18)/t11-/m1/s1
InChIKeyYTLXUJBIOOJBIA-LLVKDONJSA-N
MW250.30 g/mol
LogP0.88
Rot. Bonds2

About (5R)-5-hydroxy-2-oxo-N-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

(5R)-5-hydroxy-2-oxo-N-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 51471038) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (5R)-5-hydroxy-2-oxo-N-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name(5R)-5-hydroxy-2-oxo-N-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID51471038
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(5R)-5-hydroxy-2-oxo-N-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC(C)NC(=O)c1cc2c([nH]c1=O)CCC[C@H]2O
InChIInChI=1S/C13H18N2O3/c1-7(2)14-12(17)9-6-8-10(15-13(9)18)4-3-5-11(8)16/h6-7,11,16H,3-5H2,1-2H3,(H,14,17)(H,15,18)/t11-/m1/s1
InChIKeyYTLXUJBIOOJBIA-LLVKDONJSA-N
XLogP0.88
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-hydroxy-2-oxo-N-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of (5R)-5-hydroxy-2-oxo-N-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 51471038) is (5R)-5-hydroxy-2-oxo-N-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for (5R)-5-hydroxy-2-oxo-N-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for (5R)-5-hydroxy-2-oxo-N-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC(C)NC(=O)c1cc2c([nH]c1=O)CCC[C@H]2O.
What is the InChIKey of (5R)-5-hydroxy-2-oxo-N-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is YTLXUJBIOOJBIA-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-7(2)14-12(17)9-6-8-10(15-13(9)18)4-3-5-11(8)16/h6-7,11,16H,3-5H2,1-2H3,(H,14,17)(H,15,18)/t11-/m1/s1.
What are the key properties of (5R)-5-hydroxy-2-oxo-N-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
(5R)-5-hydroxy-2-oxo-N-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.88, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-hydroxy-2-oxo-N-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 51471038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).