3-[2-(3,4-dichlorophenyl)-2-oxoethyl]-N-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxamide

C18H16Cl2N2O3 — CID 160998137

IUPAC3-[2-(3,4-dichlorophenyl)-2-oxoethyl]-N-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESO=C(CC1CNc2ccc(C(=O)NO)cc2C1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H16Cl2N2O3/c19-14-3-1-11(8-15(14)20)17(23)6-10-5-13-7-12(18(24)22-25)2-4-16(13)21-9-10/h1-4,7-8,10,21,25H,5-6,9H2,(H,22,24)
InChIKeyTVNBJIHPHRGYMK-UHFFFAOYSA-N
MW379.24 g/mol
LogP3.97
Rot. Bonds4

About 3-[2-(3,4-dichlorophenyl)-2-oxoethyl]-N-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxamide

3-[2-(3,4-dichlorophenyl)-2-oxoethyl]-N-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxamide (PubChem CID 160998137) has the molecular formula C18H16Cl2N2O3 and a molecular weight of 379.24 g/mol. Its IUPAC name is 3-[2-(3,4-dichlorophenyl)-2-oxoethyl]-N-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxamide.

Molecular Properties

Compound Name3-[2-(3,4-dichlorophenyl)-2-oxoethyl]-N-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxamide
PubChem CID160998137
Molecular FormulaC18H16Cl2N2O3
Molecular Weight379.24 g/mol
Exact Mass378.05
IUPAC Name3-[2-(3,4-dichlorophenyl)-2-oxoethyl]-N-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESO=C(CC1CNc2ccc(C(=O)NO)cc2C1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H16Cl2N2O3/c19-14-3-1-11(8-15(14)20)17(23)6-10-5-13-7-12(18(24)22-25)2-4-16(13)21-9-10/h1-4,7-8,10,21,25H,5-6,9H2,(H,22,24)
InChIKeyTVNBJIHPHRGYMK-UHFFFAOYSA-N
XLogP3.97
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dichlorophenyl)-2-oxoethyl]-N-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The IUPAC name of 3-[2-(3,4-dichlorophenyl)-2-oxoethyl]-N-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxamide (CID 160998137) is 3-[2-(3,4-dichlorophenyl)-2-oxoethyl]-N-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxamide.
What is the SMILES notation for 3-[2-(3,4-dichlorophenyl)-2-oxoethyl]-N-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The canonical SMILES for 3-[2-(3,4-dichlorophenyl)-2-oxoethyl]-N-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxamide is O=C(CC1CNc2ccc(C(=O)NO)cc2C1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-[2-(3,4-dichlorophenyl)-2-oxoethyl]-N-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The InChIKey is TVNBJIHPHRGYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O3/c19-14-3-1-11(8-15(14)20)17(23)6-10-5-13-7-12(18(24)22-25)2-4-16(13)21-9-10/h1-4,7-8,10,21,25H,5-6,9H2,(H,22,24).
What are the key properties of 3-[2-(3,4-dichlorophenyl)-2-oxoethyl]-N-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxamide?
3-[2-(3,4-dichlorophenyl)-2-oxoethyl]-N-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxamide has a molecular weight of 379.24 g/mol, XLogP of 3.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dichlorophenyl)-2-oxoethyl]-N-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxamide is sourced from PubChem (CID 160998137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).