4-hydroxy-2-oxo-N-propyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C13H18N2O3 — CID 54684651

IUPAC4-hydroxy-2-oxo-N-propyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2
InChIInChI=1S/C13H18N2O3/c1-2-7-14-12(17)10-11(16)8-5-3-4-6-9(8)15-13(10)18/h2-7H2,1H3,(H,14,17)(H2,15,16,18)
InChIKeyBZLMMAZHDXEDDD-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.10
Rot. Bonds3

About 4-hydroxy-2-oxo-N-propyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

4-hydroxy-2-oxo-N-propyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 54684651) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-N-propyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-oxo-N-propyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID54684651
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-hydroxy-2-oxo-N-propyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2
InChIInChI=1S/C13H18N2O3/c1-2-7-14-12(17)10-11(16)8-5-3-4-6-9(8)15-13(10)18/h2-7H2,1H3,(H,14,17)(H2,15,16,18)
InChIKeyBZLMMAZHDXEDDD-UHFFFAOYSA-N
XLogP1.10
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxo-N-propyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-2-oxo-N-propyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 54684651) is 4-hydroxy-2-oxo-N-propyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-oxo-N-propyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-oxo-N-propyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CCCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2.
What is the InChIKey of 4-hydroxy-2-oxo-N-propyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is BZLMMAZHDXEDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-7-14-12(17)10-11(16)8-5-3-4-6-9(8)15-13(10)18/h2-7H2,1H3,(H,14,17)(H2,15,16,18).
What are the key properties of 4-hydroxy-2-oxo-N-propyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
4-hydroxy-2-oxo-N-propyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-N-propyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54684651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).