N-(2-carbamoylphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide

C20H19N3O4 — CID 42534385

IUPACN-(2-carbamoylphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2ccccc2C(N)=O)c(=O)c2cc(OC)ccc21
InChIInChI=1S/C20H19N3O4/c1-3-23-11-15(18(24)14-10-12(27-2)8-9-17(14)23)20(26)22-16-7-5-4-6-13(16)19(21)25/h4-11H,3H2,1-2H3,(H2,21,25)(H,22,26)
InChIKeySHGSODNDRHHIAS-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.38
Rot. Bonds5

About N-(2-carbamoylphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide

N-(2-carbamoylphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide (PubChem CID 42534385) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
PubChem CID42534385
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC NameN-(2-carbamoylphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2ccccc2C(N)=O)c(=O)c2cc(OC)ccc21
InChIInChI=1S/C20H19N3O4/c1-3-23-11-15(18(24)14-10-12(27-2)8-9-17(14)23)20(26)22-16-7-5-4-6-13(16)19(21)25/h4-11H,3H2,1-2H3,(H2,21,25)(H,22,26)
InChIKeySHGSODNDRHHIAS-UHFFFAOYSA-N
XLogP2.38
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide?
The IUPAC name of N-(2-carbamoylphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide (CID 42534385) is N-(2-carbamoylphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide?
The canonical SMILES for N-(2-carbamoylphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide is CCn1cc(C(=O)Nc2ccccc2C(N)=O)c(=O)c2cc(OC)ccc21.
What is the InChIKey of N-(2-carbamoylphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide?
The InChIKey is SHGSODNDRHHIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-3-23-11-15(18(24)14-10-12(27-2)8-9-17(14)23)20(26)22-16-7-5-4-6-13(16)19(21)25/h4-11H,3H2,1-2H3,(H2,21,25)(H,22,26).
What are the key properties of N-(2-carbamoylphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide?
N-(2-carbamoylphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 42534385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).