5-chloro-N-ethyl-6-methyl-4-(methylamino)-2-oxo-N-phenyl-1H-quinoline-3-carboxamide

C20H20ClN3O2 — CID 70128244

IUPAC5-chloro-N-ethyl-6-methyl-4-(methylamino)-2-oxo-N-phenyl-1H-quinoline-3-carboxamide
SMILESCCN(C(=O)c1c(NC)c2c(Cl)c(C)ccc2[nH]c1=O)c1ccccc1
InChIInChI=1S/C20H20ClN3O2/c1-4-24(13-8-6-5-7-9-13)20(26)16-18(22-3)15-14(23-19(16)25)11-10-12(2)17(15)21/h5-11H,4H2,1-3H3,(H2,22,23,25)
InChIKeyXDPYAFOXPDLJPC-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.20
Rot. Bonds4

About 5-chloro-N-ethyl-6-methyl-4-(methylamino)-2-oxo-N-phenyl-1H-quinoline-3-carboxamide

5-chloro-N-ethyl-6-methyl-4-(methylamino)-2-oxo-N-phenyl-1H-quinoline-3-carboxamide (PubChem CID 70128244) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 5-chloro-N-ethyl-6-methyl-4-(methylamino)-2-oxo-N-phenyl-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-6-methyl-4-(methylamino)-2-oxo-N-phenyl-1H-quinoline-3-carboxamide
PubChem CID70128244
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name5-chloro-N-ethyl-6-methyl-4-(methylamino)-2-oxo-N-phenyl-1H-quinoline-3-carboxamide
SMILESCCN(C(=O)c1c(NC)c2c(Cl)c(C)ccc2[nH]c1=O)c1ccccc1
InChIInChI=1S/C20H20ClN3O2/c1-4-24(13-8-6-5-7-9-13)20(26)16-18(22-3)15-14(23-19(16)25)11-10-12(2)17(15)21/h5-11H,4H2,1-3H3,(H2,22,23,25)
InChIKeyXDPYAFOXPDLJPC-UHFFFAOYSA-N
XLogP4.20
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-6-methyl-4-(methylamino)-2-oxo-N-phenyl-1H-quinoline-3-carboxamide?
The IUPAC name of 5-chloro-N-ethyl-6-methyl-4-(methylamino)-2-oxo-N-phenyl-1H-quinoline-3-carboxamide (CID 70128244) is 5-chloro-N-ethyl-6-methyl-4-(methylamino)-2-oxo-N-phenyl-1H-quinoline-3-carboxamide.
What is the SMILES notation for 5-chloro-N-ethyl-6-methyl-4-(methylamino)-2-oxo-N-phenyl-1H-quinoline-3-carboxamide?
The canonical SMILES for 5-chloro-N-ethyl-6-methyl-4-(methylamino)-2-oxo-N-phenyl-1H-quinoline-3-carboxamide is CCN(C(=O)c1c(NC)c2c(Cl)c(C)ccc2[nH]c1=O)c1ccccc1.
What is the InChIKey of 5-chloro-N-ethyl-6-methyl-4-(methylamino)-2-oxo-N-phenyl-1H-quinoline-3-carboxamide?
The InChIKey is XDPYAFOXPDLJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-4-24(13-8-6-5-7-9-13)20(26)16-18(22-3)15-14(23-19(16)25)11-10-12(2)17(15)21/h5-11H,4H2,1-3H3,(H2,22,23,25).
What are the key properties of 5-chloro-N-ethyl-6-methyl-4-(methylamino)-2-oxo-N-phenyl-1H-quinoline-3-carboxamide?
5-chloro-N-ethyl-6-methyl-4-(methylamino)-2-oxo-N-phenyl-1H-quinoline-3-carboxamide has a molecular weight of 369.85 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-6-methyl-4-(methylamino)-2-oxo-N-phenyl-1H-quinoline-3-carboxamide is sourced from PubChem (CID 70128244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).