6-ethoxy-1-methyl-4-oxo-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide

C21H22N2O3 — CID 30133856

IUPAC6-ethoxy-1-methyl-4-oxo-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide
SMILESCCOc1ccc2c(c1)c(=O)c(C(=O)N[C@H](C)c1ccccc1)cn2C
InChIInChI=1S/C21H22N2O3/c1-4-26-16-10-11-19-17(12-16)20(24)18(13-23(19)3)21(25)22-14(2)15-8-6-5-7-9-15/h5-14H,4H2,1-3H3,(H,22,25)/t14-/m1/s1
InChIKeyCAYWTFIKGIDVPT-CQSZACIVSA-N
MW350.42 g/mol
LogP3.43
Rot. Bonds5

About 6-ethoxy-1-methyl-4-oxo-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide

6-ethoxy-1-methyl-4-oxo-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide (PubChem CID 30133856) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 6-ethoxy-1-methyl-4-oxo-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name6-ethoxy-1-methyl-4-oxo-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide
PubChem CID30133856
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name6-ethoxy-1-methyl-4-oxo-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide
SMILESCCOc1ccc2c(c1)c(=O)c(C(=O)N[C@H](C)c1ccccc1)cn2C
InChIInChI=1S/C21H22N2O3/c1-4-26-16-10-11-19-17(12-16)20(24)18(13-23(19)3)21(25)22-14(2)15-8-6-5-7-9-15/h5-14H,4H2,1-3H3,(H,22,25)/t14-/m1/s1
InChIKeyCAYWTFIKGIDVPT-CQSZACIVSA-N
XLogP3.43
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide
CID 43888799
6-ethoxy-1-methyl-4-oxo-N-[(2R)-pentan-2-yl]quinoline-3-carboxamide
CID 30134022
6-ethoxy-1-methyl-4-oxo-N-phenylquinoline-3-carboxamide
CID 30133870
1-ethyl-6-methoxy-4-oxo-N-[(1S)-1-phenylethyl]quinoline-3-carboxamide
CID 30132817
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-N-[(4-methoxyphenyl)methyl]-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133854
N-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-4-oxoquinoline-3-carboxamide
CID 30131803
3-(4-benzylpiperazine-1-carbonyl)-6-ethoxy-1-methylquinolin-4-one
CID 30133996
6-ethoxy-1-methyl-N-(2-morpholin-4-ylethyl)-4-oxoquinoline-3-carboxamide
CID 30134066
6-ethoxy-1-methyl-3-(4-methylpiperazine-1-carbonyl)quinolin-4-one
CID 30133993
N-[1-(4-bromophenyl)ethyl]-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 43888757

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-1-methyl-4-oxo-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide?
The IUPAC name of 6-ethoxy-1-methyl-4-oxo-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide (CID 30133856) is 6-ethoxy-1-methyl-4-oxo-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide.
What is the SMILES notation for 6-ethoxy-1-methyl-4-oxo-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide?
The canonical SMILES for 6-ethoxy-1-methyl-4-oxo-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide is CCOc1ccc2c(c1)c(=O)c(C(=O)N[C@H](C)c1ccccc1)cn2C.
What is the InChIKey of 6-ethoxy-1-methyl-4-oxo-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide?
The InChIKey is CAYWTFIKGIDVPT-CQSZACIVSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-4-26-16-10-11-19-17(12-16)20(24)18(13-23(19)3)21(25)22-14(2)15-8-6-5-7-9-15/h5-14H,4H2,1-3H3,(H,22,25)/t14-/m1/s1.
What are the key properties of 6-ethoxy-1-methyl-4-oxo-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide?
6-ethoxy-1-methyl-4-oxo-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-1-methyl-4-oxo-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide is sourced from PubChem (CID 30133856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).