N-[1-(4-chlorophenyl)ethyl]-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide

C21H21ClN2O3 — CID 43888799

IUPACN-[1-(4-chlorophenyl)ethyl]-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCCOc1ccc2c(c1)c(=O)c(C(=O)NC(C)c1ccc(Cl)cc1)cn2C
InChIInChI=1S/C21H21ClN2O3/c1-4-27-16-9-10-19-17(11-16)20(25)18(12-24(19)3)21(26)23-13(2)14-5-7-15(22)8-6-14/h5-13H,4H2,1-3H3,(H,23,26)
InChIKeyLZZUEKOJRRFBJZ-UHFFFAOYSA-N
MW384.86 g/mol
LogP4.08
Rot. Bonds5

About N-[1-(4-chlorophenyl)ethyl]-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide

N-[1-(4-chlorophenyl)ethyl]-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide (PubChem CID 43888799) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide
PubChem CID43888799
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCCOc1ccc2c(c1)c(=O)c(C(=O)NC(C)c1ccc(Cl)cc1)cn2C
InChIInChI=1S/C21H21ClN2O3/c1-4-27-16-9-10-19-17(11-16)20(25)18(12-24(19)3)21(26)23-13(2)14-5-7-15(22)8-6-14/h5-13H,4H2,1-3H3,(H,23,26)
InChIKeyLZZUEKOJRRFBJZ-UHFFFAOYSA-N
XLogP4.08
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethoxy-1-methyl-4-oxo-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide
CID 30133856
6-ethoxy-1-methyl-4-oxo-N-[(2R)-pentan-2-yl]quinoline-3-carboxamide
CID 30134022
6-ethoxy-1-methyl-4-oxo-N-(4-propan-2-ylphenyl)quinoline-3-carboxamide
CID 30133888
6-ethoxy-1-methyl-N-(4-methylphenyl)-4-oxoquinoline-3-carboxamide
CID 30133873
6-ethoxy-1-methyl-4-oxo-N-phenylquinoline-3-carboxamide
CID 30133870
2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzamide
CID 16580047
6-ethoxy-N-[(4-methoxyphenyl)methyl]-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133854
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133939
N-[1-(4-bromophenyl)ethyl]-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 43888757
6-ethoxy-1-methyl-3-(pyrrolidine-1-carbonyl)quinolin-4-one
CID 30133978
1-ethyl-6-methoxy-4-oxo-N-[(1S)-1-phenylethyl]quinoline-3-carboxamide
CID 30132817
6-ethoxy-1-methyl-N-(2-morpholin-4-ylethyl)-4-oxoquinoline-3-carboxamide
CID 30134066

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide (CID 43888799) is N-[1-(4-chlorophenyl)ethyl]-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide is CCOc1ccc2c(c1)c(=O)c(C(=O)NC(C)c1ccc(Cl)cc1)cn2C.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide?
The InChIKey is LZZUEKOJRRFBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3/c1-4-27-16-9-10-19-17(11-16)20(25)18(12-24(19)3)21(26)23-13(2)14-5-7-15(22)8-6-14/h5-13H,4H2,1-3H3,(H,23,26).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide?
N-[1-(4-chlorophenyl)ethyl]-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide has a molecular weight of 384.86 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 43888799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).