N-cyclopentyl-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide

C20H24N2O5 — CID 54679672

IUPACN-cyclopentyl-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
SMILESC=CCn1c(=O)c(C(=O)NC2CCCC2)c(O)c2cc(OC)c(OC)cc21
InChIInChI=1S/C20H24N2O5/c1-4-9-22-14-11-16(27-3)15(26-2)10-13(14)18(23)17(20(22)25)19(24)21-12-7-5-6-8-12/h4,10-12,23H,1,5-9H2,2-3H3,(H,21,24)
InChIKeyKLYFZECRZMKAMO-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.58
Rot. Bonds6

About N-cyclopentyl-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide

N-cyclopentyl-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide (PubChem CID 54679672) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-cyclopentyl-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
PubChem CID54679672
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC NameN-cyclopentyl-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
SMILESC=CCn1c(=O)c(C(=O)NC2CCCC2)c(O)c2cc(OC)c(OC)cc21
InChIInChI=1S/C20H24N2O5/c1-4-9-22-14-11-16(27-3)15(26-2)10-13(14)18(23)17(20(22)25)19(24)21-12-7-5-6-8-12/h4,10-12,23H,1,5-9H2,2-3H3,(H,21,24)
InChIKeyKLYFZECRZMKAMO-UHFFFAOYSA-N
XLogP2.58
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
The IUPAC name of N-cyclopentyl-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide (CID 54679672) is N-cyclopentyl-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
The canonical SMILES for N-cyclopentyl-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide is C=CCn1c(=O)c(C(=O)NC2CCCC2)c(O)c2cc(OC)c(OC)cc21.
What is the InChIKey of N-cyclopentyl-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
The InChIKey is KLYFZECRZMKAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-4-9-22-14-11-16(27-3)15(26-2)10-13(14)18(23)17(20(22)25)19(24)21-12-7-5-6-8-12/h4,10-12,23H,1,5-9H2,2-3H3,(H,21,24).
What are the key properties of N-cyclopentyl-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
N-cyclopentyl-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide has a molecular weight of 372.42 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide is sourced from PubChem (CID 54679672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).