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

C23H27N3O2 — CID 22461068

IUPACN,5-diethyl-4-(ethylamino)-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCCNc1c(C(=O)N(CC)c2ccccc2)c(=O)n(C)c2cccc(CC)c12
InChIInChI=1S/C23H27N3O2/c1-5-16-12-11-15-18-19(16)21(24-6-2)20(22(27)25(18)4)23(28)26(7-3)17-13-9-8-10-14-17/h8-15,24H,5-7H2,1-4H3
InChIKeyUSPKMDOCPGQQEY-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.20
Rot. Bonds6

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

N,5-diethyl-4-(ethylamino)-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide (PubChem CID 22461068) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N,5-diethyl-4-(ethylamino)-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide.

Molecular Properties

Compound NameN,5-diethyl-4-(ethylamino)-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
PubChem CID22461068
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN,5-diethyl-4-(ethylamino)-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCCNc1c(C(=O)N(CC)c2ccccc2)c(=O)n(C)c2cccc(CC)c12
InChIInChI=1S/C23H27N3O2/c1-5-16-12-11-15-18-19(16)21(24-6-2)20(22(27)25(18)4)23(28)26(7-3)17-13-9-8-10-14-17/h8-15,24H,5-7H2,1-4H3
InChIKeyUSPKMDOCPGQQEY-UHFFFAOYSA-N
XLogP4.20
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,5-diethyl-4-(ethylamino)-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide?
The IUPAC name of N,5-diethyl-4-(ethylamino)-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide (CID 22461068) is N,5-diethyl-4-(ethylamino)-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide.
What is the SMILES notation for N,5-diethyl-4-(ethylamino)-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide?
The canonical SMILES for N,5-diethyl-4-(ethylamino)-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide is CCNc1c(C(=O)N(CC)c2ccccc2)c(=O)n(C)c2cccc(CC)c12.
What is the InChIKey of N,5-diethyl-4-(ethylamino)-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide?
The InChIKey is USPKMDOCPGQQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-5-16-12-11-15-18-19(16)21(24-6-2)20(22(27)25(18)4)23(28)26(7-3)17-13-9-8-10-14-17/h8-15,24H,5-7H2,1-4H3.
What are the key properties of N,5-diethyl-4-(ethylamino)-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide?
N,5-diethyl-4-(ethylamino)-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-diethyl-4-(ethylamino)-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide is sourced from PubChem (CID 22461068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).