N-(2-amino-2-oxoethoxy)-2-(2-chlorophenyl)quinoline-4-carboxamide

C18H14ClN3O3 — CID 167970107

IUPACN-(2-amino-2-oxoethoxy)-2-(2-chlorophenyl)quinoline-4-carboxamide
SMILESNC(=O)CONC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C18H14ClN3O3/c19-14-7-3-1-6-12(14)16-9-13(18(24)22-25-10-17(20)23)11-5-2-4-8-15(11)21-16/h1-9H,10H2,(H2,20,23)(H,22,24)
InChIKeyHQMPSQQVTLAUTD-UHFFFAOYSA-N
MW355.78 g/mol
LogP2.70
Rot. Bonds5

About N-(2-amino-2-oxoethoxy)-2-(2-chlorophenyl)quinoline-4-carboxamide

N-(2-amino-2-oxoethoxy)-2-(2-chlorophenyl)quinoline-4-carboxamide (PubChem CID 167970107) has the molecular formula C18H14ClN3O3 and a molecular weight of 355.78 g/mol. Its IUPAC name is N-(2-amino-2-oxoethoxy)-2-(2-chlorophenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethoxy)-2-(2-chlorophenyl)quinoline-4-carboxamide
PubChem CID167970107
Molecular FormulaC18H14ClN3O3
Molecular Weight355.78 g/mol
Exact Mass355.07
IUPAC NameN-(2-amino-2-oxoethoxy)-2-(2-chlorophenyl)quinoline-4-carboxamide
SMILESNC(=O)CONC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C18H14ClN3O3/c19-14-7-3-1-6-12(14)16-9-13(18(24)22-25-10-17(20)23)11-5-2-4-8-15(11)21-16/h1-9H,10H2,(H2,20,23)(H,22,24)
InChIKeyHQMPSQQVTLAUTD-UHFFFAOYSA-N
XLogP2.70
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.78
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-2-oxoethyl) 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 2373664
2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4581581
2-(2-chlorophenyl)-N-[8-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]octyl]quinoline-4-carboxamide
CID 5201132
[2-(2-chlorophenyl)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 126191212
N-(6-carbamoyl-2-pyridinyl)-2-(2-chlorophenyl)quinoline-4-carboxamide
CID 166212360
1-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]-3-methylthiourea
CID 4500720
2-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide
CID 1221492
2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)quinoline-4-carboxamide
CID 5128996
methyl 4-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]butanoate
CID 30591047
(1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 18076503
2-(2-chlorophenyl)-N-(pentan-3-ylideneamino)quinoline-4-carboxamide
CID 16553720
2-(2-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 2168182

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethoxy)-2-(2-chlorophenyl)quinoline-4-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethoxy)-2-(2-chlorophenyl)quinoline-4-carboxamide (CID 167970107) is N-(2-amino-2-oxoethoxy)-2-(2-chlorophenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethoxy)-2-(2-chlorophenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethoxy)-2-(2-chlorophenyl)quinoline-4-carboxamide is NC(=O)CONC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12.
What is the InChIKey of N-(2-amino-2-oxoethoxy)-2-(2-chlorophenyl)quinoline-4-carboxamide?
The InChIKey is HQMPSQQVTLAUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O3/c19-14-7-3-1-6-12(14)16-9-13(18(24)22-25-10-17(20)23)11-5-2-4-8-15(11)21-16/h1-9H,10H2,(H2,20,23)(H,22,24).
What are the key properties of N-(2-amino-2-oxoethoxy)-2-(2-chlorophenyl)quinoline-4-carboxamide?
N-(2-amino-2-oxoethoxy)-2-(2-chlorophenyl)quinoline-4-carboxamide has a molecular weight of 355.78 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethoxy)-2-(2-chlorophenyl)quinoline-4-carboxamide is sourced from PubChem (CID 167970107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).