4-hydroxy-2-oxo-1-propan-2-yl-N-pyridin-2-ylquinoline-3-carboxamide

C18H17N3O3 — CID 56606321

IUPAC4-hydroxy-2-oxo-1-propan-2-yl-N-pyridin-2-ylquinoline-3-carboxamide
SMILESCC(C)n1c(=O)c(C(=O)Nc2ccccn2)c(O)c2ccccc21
InChIInChI=1S/C18H17N3O3/c1-11(2)21-13-8-4-3-7-12(13)16(22)15(18(21)24)17(23)20-14-9-5-6-10-19-14/h3-11,22H,1-2H3,(H,19,20,23)
InChIKeyNQUBMTCVMVDFBM-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.94
Rot. Bonds3

About 4-hydroxy-2-oxo-1-propan-2-yl-N-pyridin-2-ylquinoline-3-carboxamide

4-hydroxy-2-oxo-1-propan-2-yl-N-pyridin-2-ylquinoline-3-carboxamide (PubChem CID 56606321) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-1-propan-2-yl-N-pyridin-2-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-oxo-1-propan-2-yl-N-pyridin-2-ylquinoline-3-carboxamide
PubChem CID56606321
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name4-hydroxy-2-oxo-1-propan-2-yl-N-pyridin-2-ylquinoline-3-carboxamide
SMILESCC(C)n1c(=O)c(C(=O)Nc2ccccn2)c(O)c2ccccc21
InChIInChI=1S/C18H17N3O3/c1-11(2)21-13-8-4-3-7-12(13)16(22)15(18(21)24)17(23)20-14-9-5-6-10-19-14/h3-11,22H,1-2H3,(H,19,20,23)
InChIKeyNQUBMTCVMVDFBM-UHFFFAOYSA-N
XLogP2.94
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxo-1-propan-2-yl-N-pyridin-2-ylquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-2-oxo-1-propan-2-yl-N-pyridin-2-ylquinoline-3-carboxamide (CID 56606321) is 4-hydroxy-2-oxo-1-propan-2-yl-N-pyridin-2-ylquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-oxo-1-propan-2-yl-N-pyridin-2-ylquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-oxo-1-propan-2-yl-N-pyridin-2-ylquinoline-3-carboxamide is CC(C)n1c(=O)c(C(=O)Nc2ccccn2)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-2-oxo-1-propan-2-yl-N-pyridin-2-ylquinoline-3-carboxamide?
The InChIKey is NQUBMTCVMVDFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-11(2)21-13-8-4-3-7-12(13)16(22)15(18(21)24)17(23)20-14-9-5-6-10-19-14/h3-11,22H,1-2H3,(H,19,20,23).
What are the key properties of 4-hydroxy-2-oxo-1-propan-2-yl-N-pyridin-2-ylquinoline-3-carboxamide?
4-hydroxy-2-oxo-1-propan-2-yl-N-pyridin-2-ylquinoline-3-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-1-propan-2-yl-N-pyridin-2-ylquinoline-3-carboxamide is sourced from PubChem (CID 56606321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).