6-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]quinoline-8-carboxamide

C20H18ClN3O3 — CID 55872469

IUPAC6-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]quinoline-8-carboxamide
SMILESCCNC(=O)COc1ccc(NC(=O)c2cc(Cl)cc3cccnc23)cc1
InChIInChI=1S/C20H18ClN3O3/c1-2-22-18(25)12-27-16-7-5-15(6-8-16)24-20(26)17-11-14(21)10-13-4-3-9-23-19(13)17/h3-11H,2,12H2,1H3,(H,22,25)(H,24,26)
InChIKeyLYYVUUZSTRSYBH-UHFFFAOYSA-N
MW383.84 g/mol
LogP3.66
Rot. Bonds6

About 6-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]quinoline-8-carboxamide

6-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]quinoline-8-carboxamide (PubChem CID 55872469) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is 6-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]quinoline-8-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]quinoline-8-carboxamide
PubChem CID55872469
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC Name6-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]quinoline-8-carboxamide
SMILESCCNC(=O)COc1ccc(NC(=O)c2cc(Cl)cc3cccnc23)cc1
InChIInChI=1S/C20H18ClN3O3/c1-2-22-18(25)12-27-16-7-5-15(6-8-16)24-20(26)17-11-14(21)10-13-4-3-9-23-19(13)17/h3-11H,2,12H2,1H3,(H,22,25)(H,24,26)
InChIKeyLYYVUUZSTRSYBH-UHFFFAOYSA-N
XLogP3.66
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]quinoline-2-carboxamide
CID 32937835
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-iodobenzamide
CID 32937991
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]quinoline-8-carboxamide
CID 32944118
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-hydroxy-4-methylbenzamide
CID 38497709
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-hydroxy-5-methylbenzamide
CID 32937197
5-bromo-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-hydroxybenzamide
CID 32938270
N-[4-(2-amino-2-oxoethoxy)phenyl]benzo[f]quinoline-5-carboxamide
CID 71894350
2-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-fluorobenzamide
CID 33255433
2-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 39044160
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-5-methylsulfanylbenzamide
CID 32941425
6-chloro-N-[[4-(diethylcarbamoyl)phenyl]methyl]quinoline-8-carboxamide
CID 87025093
5-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methoxybenzamide
CID 39045106

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]quinoline-8-carboxamide?
The IUPAC name of 6-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]quinoline-8-carboxamide (CID 55872469) is 6-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]quinoline-8-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]quinoline-8-carboxamide?
The canonical SMILES for 6-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]quinoline-8-carboxamide is CCNC(=O)COc1ccc(NC(=O)c2cc(Cl)cc3cccnc23)cc1.
What is the InChIKey of 6-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]quinoline-8-carboxamide?
The InChIKey is LYYVUUZSTRSYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-2-22-18(25)12-27-16-7-5-15(6-8-16)24-20(26)17-11-14(21)10-13-4-3-9-23-19(13)17/h3-11H,2,12H2,1H3,(H,22,25)(H,24,26).
What are the key properties of 6-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]quinoline-8-carboxamide?
6-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]quinoline-8-carboxamide has a molecular weight of 383.84 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]quinoline-8-carboxamide is sourced from PubChem (CID 55872469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).