6-ethyl-4-oxo-N-propyl-1H-quinoline-3-carboxamide

C15H18N2O2 — CID 11521736

IUPAC6-ethyl-4-oxo-N-propyl-1H-quinoline-3-carboxamide
SMILESCCCNC(=O)c1c[nH]c2ccc(CC)cc2c1=O
InChIInChI=1S/C15H18N2O2/c1-3-7-16-15(19)12-9-17-13-6-5-10(4-2)8-11(13)14(12)18/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyYTLATZVRJZTHRQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.23
Rot. Bonds4

About 6-ethyl-4-oxo-N-propyl-1H-quinoline-3-carboxamide

6-ethyl-4-oxo-N-propyl-1H-quinoline-3-carboxamide (PubChem CID 11521736) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-ethyl-4-oxo-N-propyl-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-ethyl-4-oxo-N-propyl-1H-quinoline-3-carboxamide
PubChem CID11521736
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name6-ethyl-4-oxo-N-propyl-1H-quinoline-3-carboxamide
SMILESCCCNC(=O)c1c[nH]c2ccc(CC)cc2c1=O
InChIInChI=1S/C15H18N2O2/c1-3-7-16-15(19)12-9-17-13-6-5-10(4-2)8-11(13)14(12)18/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyYTLATZVRJZTHRQ-UHFFFAOYSA-N
XLogP2.23
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-oxo-N-propyl-1H-quinoline-3-carboxamide?
The IUPAC name of 6-ethyl-4-oxo-N-propyl-1H-quinoline-3-carboxamide (CID 11521736) is 6-ethyl-4-oxo-N-propyl-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-ethyl-4-oxo-N-propyl-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-ethyl-4-oxo-N-propyl-1H-quinoline-3-carboxamide is CCCNC(=O)c1c[nH]c2ccc(CC)cc2c1=O.
What is the InChIKey of 6-ethyl-4-oxo-N-propyl-1H-quinoline-3-carboxamide?
The InChIKey is YTLATZVRJZTHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-7-16-15(19)12-9-17-13-6-5-10(4-2)8-11(13)14(12)18/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 6-ethyl-4-oxo-N-propyl-1H-quinoline-3-carboxamide?
6-ethyl-4-oxo-N-propyl-1H-quinoline-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-oxo-N-propyl-1H-quinoline-3-carboxamide is sourced from PubChem (CID 11521736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).