N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide

C21H26N2O4 — CID 77084298

IUPACN-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCCN(CC(O)c1cccc(O)c1)C(=O)c1cc2c(n(C)c1=O)CCCC2
InChIInChI=1S/C21H26N2O4/c1-3-23(13-19(25)15-8-6-9-16(24)11-15)21(27)17-12-14-7-4-5-10-18(14)22(2)20(17)26/h6,8-9,11-12,19,24-25H,3-5,7,10,13H2,1-2H3
InChIKeyIBBKTDMEQAGTPX-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.17
Rot. Bonds5

About N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide

N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 77084298) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID77084298
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCCN(CC(O)c1cccc(O)c1)C(=O)c1cc2c(n(C)c1=O)CCCC2
InChIInChI=1S/C21H26N2O4/c1-3-23(13-19(25)15-8-6-9-16(24)11-15)21(27)17-12-14-7-4-5-10-18(14)22(2)20(17)26/h6,8-9,11-12,19,24-25H,3-5,7,10,13H2,1-2H3
InChIKeyIBBKTDMEQAGTPX-UHFFFAOYSA-N
XLogP2.17
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide (CID 77084298) is N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide is CCN(CC(O)c1cccc(O)c1)C(=O)c1cc2c(n(C)c1=O)CCCC2.
What is the InChIKey of N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is IBBKTDMEQAGTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-3-23(13-19(25)15-8-6-9-16(24)11-15)21(27)17-12-14-7-4-5-10-18(14)22(2)20(17)26/h6,8-9,11-12,19,24-25H,3-5,7,10,13H2,1-2H3.
What are the key properties of N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide?
N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 77084298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).