4-(ethylamino)-N,1,5-trimethyl-2-oxo-N-phenylquinoline-3-carboxamide

C21H23N3O2 — CID 22461072

IUPAC4-(ethylamino)-N,1,5-trimethyl-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCCNc1c(C(=O)N(C)c2ccccc2)c(=O)n(C)c2cccc(C)c12
InChIInChI=1S/C21H23N3O2/c1-5-22-19-17-14(2)10-9-13-16(17)24(4)21(26)18(19)20(25)23(3)15-11-7-6-8-12-15/h6-13,22H,5H2,1-4H3
InChIKeyJYUJBAVRXWYCHG-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.56
Rot. Bonds4

About 4-(ethylamino)-N,1,5-trimethyl-2-oxo-N-phenylquinoline-3-carboxamide

4-(ethylamino)-N,1,5-trimethyl-2-oxo-N-phenylquinoline-3-carboxamide (PubChem CID 22461072) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-(ethylamino)-N,1,5-trimethyl-2-oxo-N-phenylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N,1,5-trimethyl-2-oxo-N-phenylquinoline-3-carboxamide
PubChem CID22461072
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name4-(ethylamino)-N,1,5-trimethyl-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCCNc1c(C(=O)N(C)c2ccccc2)c(=O)n(C)c2cccc(C)c12
InChIInChI=1S/C21H23N3O2/c1-5-22-19-17-14(2)10-9-13-16(17)24(4)21(26)18(19)20(25)23(3)15-11-7-6-8-12-15/h6-13,22H,5H2,1-4H3
InChIKeyJYUJBAVRXWYCHG-UHFFFAOYSA-N
XLogP3.56
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N,1,5-trimethyl-2-oxo-N-phenylquinoline-3-carboxamide?
The IUPAC name of 4-(ethylamino)-N,1,5-trimethyl-2-oxo-N-phenylquinoline-3-carboxamide (CID 22461072) is 4-(ethylamino)-N,1,5-trimethyl-2-oxo-N-phenylquinoline-3-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N,1,5-trimethyl-2-oxo-N-phenylquinoline-3-carboxamide?
The canonical SMILES for 4-(ethylamino)-N,1,5-trimethyl-2-oxo-N-phenylquinoline-3-carboxamide is CCNc1c(C(=O)N(C)c2ccccc2)c(=O)n(C)c2cccc(C)c12.
What is the InChIKey of 4-(ethylamino)-N,1,5-trimethyl-2-oxo-N-phenylquinoline-3-carboxamide?
The InChIKey is JYUJBAVRXWYCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-5-22-19-17-14(2)10-9-13-16(17)24(4)21(26)18(19)20(25)23(3)15-11-7-6-8-12-15/h6-13,22H,5H2,1-4H3.
What are the key properties of 4-(ethylamino)-N,1,5-trimethyl-2-oxo-N-phenylquinoline-3-carboxamide?
4-(ethylamino)-N,1,5-trimethyl-2-oxo-N-phenylquinoline-3-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N,1,5-trimethyl-2-oxo-N-phenylquinoline-3-carboxamide is sourced from PubChem (CID 22461072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).