6-ethoxy-1-methyl-4-oxo-N-(4-propan-2-ylphenyl)quinoline-3-carboxamide

C22H24N2O3 — CID 30133888

IUPAC6-ethoxy-1-methyl-4-oxo-N-(4-propan-2-ylphenyl)quinoline-3-carboxamide
SMILESCCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(C(C)C)cc1)cn2C
InChIInChI=1S/C22H24N2O3/c1-5-27-17-10-11-20-18(12-17)21(25)19(13-24(20)4)22(26)23-16-8-6-15(7-9-16)14(2)3/h6-14H,5H2,1-4H3,(H,23,26)
InChIKeyYOXXLOXHRNQMFW-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.31
Rot. Bonds5

About 6-ethoxy-1-methyl-4-oxo-N-(4-propan-2-ylphenyl)quinoline-3-carboxamide

6-ethoxy-1-methyl-4-oxo-N-(4-propan-2-ylphenyl)quinoline-3-carboxamide (PubChem CID 30133888) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-ethoxy-1-methyl-4-oxo-N-(4-propan-2-ylphenyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name6-ethoxy-1-methyl-4-oxo-N-(4-propan-2-ylphenyl)quinoline-3-carboxamide
PubChem CID30133888
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name6-ethoxy-1-methyl-4-oxo-N-(4-propan-2-ylphenyl)quinoline-3-carboxamide
SMILESCCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(C(C)C)cc1)cn2C
InChIInChI=1S/C22H24N2O3/c1-5-27-17-10-11-20-18(12-17)21(25)19(13-24(20)4)22(26)23-16-8-6-15(7-9-16)14(2)3/h6-14H,5H2,1-4H3,(H,23,26)
InChIKeyYOXXLOXHRNQMFW-UHFFFAOYSA-N
XLogP4.31
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-[1-(4-chlorophenyl)ethyl]-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide
CID 43888799
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133939
6-ethoxy-1-methyl-4-oxo-N-[(2R)-pentan-2-yl]quinoline-3-carboxamide
CID 30134022
1-ethyl-6-methoxy-4-oxo-N-(4-propan-2-ylphenyl)quinoline-3-carboxamide
CID 30132855
6-ethoxy-1-methyl-4-oxo-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide
CID 30133856
6-ethoxy-N-[(4-methoxyphenyl)methyl]-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133854
6-ethoxy-1-methyl-3-(pyrrolidine-1-carbonyl)quinolin-4-one
CID 30133978
6-fluoro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133220
6-ethoxy-1-methyl-N-(2-morpholin-4-ylethyl)-4-oxoquinoline-3-carboxamide
CID 30134066
4-ethoxy-N-(4-propan-2-ylphenyl)benzamide
CID 673574

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-1-methyl-4-oxo-N-(4-propan-2-ylphenyl)quinoline-3-carboxamide?
The IUPAC name of 6-ethoxy-1-methyl-4-oxo-N-(4-propan-2-ylphenyl)quinoline-3-carboxamide (CID 30133888) is 6-ethoxy-1-methyl-4-oxo-N-(4-propan-2-ylphenyl)quinoline-3-carboxamide.
What is the SMILES notation for 6-ethoxy-1-methyl-4-oxo-N-(4-propan-2-ylphenyl)quinoline-3-carboxamide?
The canonical SMILES for 6-ethoxy-1-methyl-4-oxo-N-(4-propan-2-ylphenyl)quinoline-3-carboxamide is CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(C(C)C)cc1)cn2C.
What is the InChIKey of 6-ethoxy-1-methyl-4-oxo-N-(4-propan-2-ylphenyl)quinoline-3-carboxamide?
The InChIKey is YOXXLOXHRNQMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-5-27-17-10-11-20-18(12-17)21(25)19(13-24(20)4)22(26)23-16-8-6-15(7-9-16)14(2)3/h6-14H,5H2,1-4H3,(H,23,26).
What are the key properties of 6-ethoxy-1-methyl-4-oxo-N-(4-propan-2-ylphenyl)quinoline-3-carboxamide?
6-ethoxy-1-methyl-4-oxo-N-(4-propan-2-ylphenyl)quinoline-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 4.31, 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-(4-propan-2-ylphenyl)quinoline-3-carboxamide is sourced from PubChem (CID 30133888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).