4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1-propylquinoline-3-carboxamide

C18H22N2O4 — CID 54679779

IUPAC4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1-propylquinoline-3-carboxamide
SMILESCCCn1c(=O)c(C(=O)NCC2CCCO2)c(O)c2ccccc21
InChIInChI=1S/C18H22N2O4/c1-2-9-20-14-8-4-3-7-13(14)16(21)15(18(20)23)17(22)19-11-12-6-5-10-24-12/h3-4,7-8,12,21H,2,5-6,9-11H2,1H3,(H,19,22)
InChIKeyYHCHKHNTFWYFAP-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.03
Rot. Bonds5

About 4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1-propylquinoline-3-carboxamide

4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1-propylquinoline-3-carboxamide (PubChem CID 54679779) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1-propylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1-propylquinoline-3-carboxamide
PubChem CID54679779
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1-propylquinoline-3-carboxamide
SMILESCCCn1c(=O)c(C(=O)NCC2CCCO2)c(O)c2ccccc21
InChIInChI=1S/C18H22N2O4/c1-2-9-20-14-8-4-3-7-13(14)16(21)15(18(20)23)17(22)19-11-12-6-5-10-24-12/h3-4,7-8,12,21H,2,5-6,9-11H2,1H3,(H,19,22)
InChIKeyYHCHKHNTFWYFAP-UHFFFAOYSA-N
XLogP2.03
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.03
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-N-(oxolan-2-ylmethyl)-1-propylquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1-propylquinoline-3-carboxamide (CID 54679779) is 4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1-propylquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1-propylquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1-propylquinoline-3-carboxamide is CCCn1c(=O)c(C(=O)NCC2CCCO2)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1-propylquinoline-3-carboxamide?
The InChIKey is YHCHKHNTFWYFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-2-9-20-14-8-4-3-7-13(14)16(21)15(18(20)23)17(22)19-11-12-6-5-10-24-12/h3-4,7-8,12,21H,2,5-6,9-11H2,1H3,(H,19,22).
What are the key properties of 4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1-propylquinoline-3-carboxamide?
4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1-propylquinoline-3-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1-propylquinoline-3-carboxamide is sourced from PubChem (CID 54679779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).