4-cyclopropyl-1-ethyl-N-(4-fluorophenyl)-N-methyl-2-oxoquinoline-6-carboxamide

C22H21FN2O2 — CID 134537268

IUPAC4-cyclopropyl-1-ethyl-N-(4-fluorophenyl)-N-methyl-2-oxoquinoline-6-carboxamide
SMILESCCn1c(=O)cc(C2CC2)c2cc(C(=O)N(C)c3ccc(F)cc3)ccc21
InChIInChI=1S/C22H21FN2O2/c1-3-25-20-11-6-15(12-19(20)18(13-21(25)26)14-4-5-14)22(27)24(2)17-9-7-16(23)8-10-17/h6-14H,3-5H2,1-2H3
InChIKeyOBDXODVHZKHSOT-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.31
Rot. Bonds4

About 4-cyclopropyl-1-ethyl-N-(4-fluorophenyl)-N-methyl-2-oxoquinoline-6-carboxamide

4-cyclopropyl-1-ethyl-N-(4-fluorophenyl)-N-methyl-2-oxoquinoline-6-carboxamide (PubChem CID 134537268) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is 4-cyclopropyl-1-ethyl-N-(4-fluorophenyl)-N-methyl-2-oxoquinoline-6-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-1-ethyl-N-(4-fluorophenyl)-N-methyl-2-oxoquinoline-6-carboxamide
PubChem CID134537268
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC Name4-cyclopropyl-1-ethyl-N-(4-fluorophenyl)-N-methyl-2-oxoquinoline-6-carboxamide
SMILESCCn1c(=O)cc(C2CC2)c2cc(C(=O)N(C)c3ccc(F)cc3)ccc21
InChIInChI=1S/C22H21FN2O2/c1-3-25-20-11-6-15(12-19(20)18(13-21(25)26)14-4-5-14)22(27)24(2)17-9-7-16(23)8-10-17/h6-14H,3-5H2,1-2H3
InChIKeyOBDXODVHZKHSOT-UHFFFAOYSA-N
XLogP4.31
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1-ethyl-N-(4-fluorophenyl)-N-methyl-2-oxoquinoline-6-carboxamide?
The IUPAC name of 4-cyclopropyl-1-ethyl-N-(4-fluorophenyl)-N-methyl-2-oxoquinoline-6-carboxamide (CID 134537268) is 4-cyclopropyl-1-ethyl-N-(4-fluorophenyl)-N-methyl-2-oxoquinoline-6-carboxamide.
What is the SMILES notation for 4-cyclopropyl-1-ethyl-N-(4-fluorophenyl)-N-methyl-2-oxoquinoline-6-carboxamide?
The canonical SMILES for 4-cyclopropyl-1-ethyl-N-(4-fluorophenyl)-N-methyl-2-oxoquinoline-6-carboxamide is CCn1c(=O)cc(C2CC2)c2cc(C(=O)N(C)c3ccc(F)cc3)ccc21.
What is the InChIKey of 4-cyclopropyl-1-ethyl-N-(4-fluorophenyl)-N-methyl-2-oxoquinoline-6-carboxamide?
The InChIKey is OBDXODVHZKHSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2/c1-3-25-20-11-6-15(12-19(20)18(13-21(25)26)14-4-5-14)22(27)24(2)17-9-7-16(23)8-10-17/h6-14H,3-5H2,1-2H3.
What are the key properties of 4-cyclopropyl-1-ethyl-N-(4-fluorophenyl)-N-methyl-2-oxoquinoline-6-carboxamide?
4-cyclopropyl-1-ethyl-N-(4-fluorophenyl)-N-methyl-2-oxoquinoline-6-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-ethyl-N-(4-fluorophenyl)-N-methyl-2-oxoquinoline-6-carboxamide is sourced from PubChem (CID 134537268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).