N-(3-acetylphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide

C21H20N2O4 — CID 42582572

IUPACN-(3-acetylphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2cccc(C(C)=O)c2)c(=O)c2cc(OC)ccc21
InChIInChI=1S/C21H20N2O4/c1-4-23-12-18(20(25)17-11-16(27-3)8-9-19(17)23)21(26)22-15-7-5-6-14(10-15)13(2)24/h5-12H,4H2,1-3H3,(H,22,26)
InChIKeyYQQNODHBMJVWRL-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.48
Rot. Bonds5

About N-(3-acetylphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide

N-(3-acetylphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide (PubChem CID 42582572) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
PubChem CID42582572
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN-(3-acetylphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2cccc(C(C)=O)c2)c(=O)c2cc(OC)ccc21
InChIInChI=1S/C21H20N2O4/c1-4-23-12-18(20(25)17-11-16(27-3)8-9-19(17)23)21(26)22-15-7-5-6-14(10-15)13(2)24/h5-12H,4H2,1-3H3,(H,22,26)
InChIKeyYQQNODHBMJVWRL-UHFFFAOYSA-N
XLogP3.48
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide (CID 42582572) is N-(3-acetylphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide is CCn1cc(C(=O)Nc2cccc(C(C)=O)c2)c(=O)c2cc(OC)ccc21.
What is the InChIKey of N-(3-acetylphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide?
The InChIKey is YQQNODHBMJVWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-4-23-12-18(20(25)17-11-16(27-3)8-9-19(17)23)21(26)22-15-7-5-6-14(10-15)13(2)24/h5-12H,4H2,1-3H3,(H,22,26).
What are the key properties of N-(3-acetylphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide?
N-(3-acetylphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 42582572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).