N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]quinoline-2-carboxamide

C20H19N3O3 — CID 32937835

IUPACN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]quinoline-2-carboxamide
SMILESCCNC(=O)COc1ccc(NC(=O)c2ccc3ccccc3n2)cc1
InChIInChI=1S/C20H19N3O3/c1-2-21-19(24)13-26-16-10-8-15(9-11-16)22-20(25)18-12-7-14-5-3-4-6-17(14)23-18/h3-12H,2,13H2,1H3,(H,21,24)(H,22,25)
InChIKeyLPSGUDRQIOOZRZ-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.00
Rot. Bonds6

About N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]quinoline-2-carboxamide

N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]quinoline-2-carboxamide (PubChem CID 32937835) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]quinoline-2-carboxamide
PubChem CID32937835
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]quinoline-2-carboxamide
SMILESCCNC(=O)COc1ccc(NC(=O)c2ccc3ccccc3n2)cc1
InChIInChI=1S/C20H19N3O3/c1-2-21-19(24)13-26-16-10-8-15(9-11-16)22-20(25)18-12-7-14-5-3-4-6-17(14)23-18/h3-12H,2,13H2,1H3,(H,21,24)(H,22,25)
InChIKeyLPSGUDRQIOOZRZ-UHFFFAOYSA-N
XLogP3.00
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(ethylamino)-2-oxoethyl]quinoline-2-carboxamide
CID 9224319
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-iodobenzamide
CID 32937991
N-[4-(3-methylbutanoylamino)phenyl]quinoline-2-carboxamide
CID 33027080
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 32940179
6-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]quinoline-8-carboxamide
CID 55872469
N-(4-bromophenyl)quinoline-2-carboxamide
CID 5112006
N-(4-ethoxyphenyl)-1,8-naphthyridine-2-carboxamide
CID 177046964
N-(4-ethoxyphenyl)quinoxaline-2-carboxamide
CID 2738538
N-[4-(2-acetamidoethylcarbamoyl)phenyl]quinoline-2-carboxamide
CID 121062115
N-(4-ethoxyphenyl)-6-methoxyquinoline-2-carboxamide
CID 33314007
2-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-fluorobenzamide
CID 33255433
3-(2-chlorophenyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]propanamide
CID 134023443

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]quinoline-2-carboxamide?
The IUPAC name of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]quinoline-2-carboxamide (CID 32937835) is N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]quinoline-2-carboxamide?
The canonical SMILES for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]quinoline-2-carboxamide is CCNC(=O)COc1ccc(NC(=O)c2ccc3ccccc3n2)cc1.
What is the InChIKey of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]quinoline-2-carboxamide?
The InChIKey is LPSGUDRQIOOZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-2-21-19(24)13-26-16-10-8-15(9-11-16)22-20(25)18-12-7-14-5-3-4-6-17(14)23-18/h3-12H,2,13H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]quinoline-2-carboxamide?
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]quinoline-2-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]quinoline-2-carboxamide is sourced from PubChem (CID 32937835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).