1-(2-hydroxyethyl)-6-methyl-2-oxo-3,4-dihydroquinoline-3-carboxamide

C13H16N2O3 — CID 173096703

IUPAC1-(2-hydroxyethyl)-6-methyl-2-oxo-3,4-dihydroquinoline-3-carboxamide
SMILESCc1ccc2c(c1)CC(C(N)=O)C(=O)N2CCO
InChIInChI=1S/C13H16N2O3/c1-8-2-3-11-9(6-8)7-10(12(14)17)13(18)15(11)4-5-16/h2-3,6,10,16H,4-5,7H2,1H3,(H2,14,17)
InChIKeyCHCVHCIDCIRWRF-UHFFFAOYSA-N
MW248.28 g/mol
LogP-0.02
Rot. Bonds3

About 1-(2-hydroxyethyl)-6-methyl-2-oxo-3,4-dihydroquinoline-3-carboxamide

1-(2-hydroxyethyl)-6-methyl-2-oxo-3,4-dihydroquinoline-3-carboxamide (PubChem CID 173096703) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-6-methyl-2-oxo-3,4-dihydroquinoline-3-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-6-methyl-2-oxo-3,4-dihydroquinoline-3-carboxamide
PubChem CID173096703
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-(2-hydroxyethyl)-6-methyl-2-oxo-3,4-dihydroquinoline-3-carboxamide
SMILESCc1ccc2c(c1)CC(C(N)=O)C(=O)N2CCO
InChIInChI=1S/C13H16N2O3/c1-8-2-3-11-9(6-8)7-10(12(14)17)13(18)15(11)4-5-16/h2-3,6,10,16H,4-5,7H2,1H3,(H2,14,17)
InChIKeyCHCVHCIDCIRWRF-UHFFFAOYSA-N
XLogP-0.02
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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CID 27805299
2-(1,5-dimethyl-2,3-dihydroindol-2-yl)propan-1-amine
CID 83860876
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CID 57128924
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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-6-methyl-2-oxo-3,4-dihydroquinoline-3-carboxamide?
The IUPAC name of 1-(2-hydroxyethyl)-6-methyl-2-oxo-3,4-dihydroquinoline-3-carboxamide (CID 173096703) is 1-(2-hydroxyethyl)-6-methyl-2-oxo-3,4-dihydroquinoline-3-carboxamide.
What is the SMILES notation for 1-(2-hydroxyethyl)-6-methyl-2-oxo-3,4-dihydroquinoline-3-carboxamide?
The canonical SMILES for 1-(2-hydroxyethyl)-6-methyl-2-oxo-3,4-dihydroquinoline-3-carboxamide is Cc1ccc2c(c1)CC(C(N)=O)C(=O)N2CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-6-methyl-2-oxo-3,4-dihydroquinoline-3-carboxamide?
The InChIKey is CHCVHCIDCIRWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8-2-3-11-9(6-8)7-10(12(14)17)13(18)15(11)4-5-16/h2-3,6,10,16H,4-5,7H2,1H3,(H2,14,17).
What are the key properties of 1-(2-hydroxyethyl)-6-methyl-2-oxo-3,4-dihydroquinoline-3-carboxamide?
1-(2-hydroxyethyl)-6-methyl-2-oxo-3,4-dihydroquinoline-3-carboxamide has a molecular weight of 248.28 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-6-methyl-2-oxo-3,4-dihydroquinoline-3-carboxamide is sourced from PubChem (CID 173096703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).