4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide

C19H23N3O3 — CID 54695776

IUPAC4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCCCn1c2c(c(O)c(C(=O)Nc3ncccc3C)c1=O)CCCC2
InChIInChI=1S/C19H23N3O3/c1-3-11-22-14-9-5-4-8-13(14)16(23)15(19(22)25)18(24)21-17-12(2)7-6-10-20-17/h6-7,10,23H,3-5,8-9,11H2,1-2H3,(H,20,21,24)
InChIKeyKRFIQLUIYDCLDW-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.80
Rot. Bonds4

About 4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide

4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 54695776) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID54695776
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCCCn1c2c(c(O)c(C(=O)Nc3ncccc3C)c1=O)CCCC2
InChIInChI=1S/C19H23N3O3/c1-3-11-22-14-9-5-4-8-13(14)16(23)15(19(22)25)18(24)21-17-12(2)7-6-10-20-17/h6-7,10,23H,3-5,8-9,11H2,1-2H3,(H,20,21,24)
InChIKeyKRFIQLUIYDCLDW-UHFFFAOYSA-N
XLogP2.80
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide (CID 54695776) is 4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide is CCCn1c2c(c(O)c(C(=O)Nc3ncccc3C)c1=O)CCCC2.
What is the InChIKey of 4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is KRFIQLUIYDCLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-3-11-22-14-9-5-4-8-13(14)16(23)15(19(22)25)18(24)21-17-12(2)7-6-10-20-17/h6-7,10,23H,3-5,8-9,11H2,1-2H3,(H,20,21,24).
What are the key properties of 4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide?
4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 54695776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).