N-(2,3-dichlorophenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide

C19H14Cl2N2O3 — CID 54682104

IUPACN-(2,3-dichlorophenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
SMILESC=CCn1c(=O)c(C(=O)Nc2cccc(Cl)c2Cl)c(O)c2ccccc21
InChIInChI=1S/C19H14Cl2N2O3/c1-2-10-23-14-9-4-3-6-11(14)17(24)15(19(23)26)18(25)22-13-8-5-7-12(20)16(13)21/h2-9,24H,1,10H2,(H,22,25)
InChIKeyNTSGPDYOCHNBRV-UHFFFAOYSA-N
MW389.24 g/mol
LogP4.45
Rot. Bonds4

About N-(2,3-dichlorophenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide

N-(2,3-dichlorophenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide (PubChem CID 54682104) has the molecular formula C19H14Cl2N2O3 and a molecular weight of 389.24 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
PubChem CID54682104
Molecular FormulaC19H14Cl2N2O3
Molecular Weight389.24 g/mol
Exact Mass388.04
IUPAC NameN-(2,3-dichlorophenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
SMILESC=CCn1c(=O)c(C(=O)Nc2cccc(Cl)c2Cl)c(O)c2ccccc21
InChIInChI=1S/C19H14Cl2N2O3/c1-2-10-23-14-9-4-3-6-11(14)17(24)15(19(23)26)18(25)22-13-8-5-7-12(20)16(13)21/h2-9,24H,1,10H2,(H,22,25)
InChIKeyNTSGPDYOCHNBRV-UHFFFAOYSA-N
XLogP4.45
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.24
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2,3-dichlorophenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide (CID 54682104) is N-(2,3-dichlorophenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide is C=CCn1c(=O)c(C(=O)Nc2cccc(Cl)c2Cl)c(O)c2ccccc21.
What is the InChIKey of N-(2,3-dichlorophenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
The InChIKey is NTSGPDYOCHNBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O3/c1-2-10-23-14-9-4-3-6-11(14)17(24)15(19(23)26)18(25)22-13-8-5-7-12(20)16(13)21/h2-9,24H,1,10H2,(H,22,25).
What are the key properties of N-(2,3-dichlorophenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
N-(2,3-dichlorophenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide has a molecular weight of 389.24 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide is sourced from PubChem (CID 54682104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).