N-(2,6-dimethylquinolin-5-yl)-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide

C23H21FN4O2 — CID 75578020

IUPACN-(2,6-dimethylquinolin-5-yl)-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide
SMILESCc1ccc2c(NC(=O)C3=CN(C)C(=O)NC3c3ccc(F)cc3)c(C)ccc2n1
InChIInChI=1S/C23H21FN4O2/c1-13-4-11-19-17(10-5-14(2)25-19)20(13)26-22(29)18-12-28(3)23(30)27-21(18)15-6-8-16(24)9-7-15/h4-12,21H,1-3H3,(H,26,29)(H,27,30)
InChIKeyXEOAKIKKFATYSU-UHFFFAOYSA-N
MW404.45 g/mol
LogP4.21
Rot. Bonds3

About N-(2,6-dimethylquinolin-5-yl)-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide

N-(2,6-dimethylquinolin-5-yl)-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide (PubChem CID 75578020) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is N-(2,6-dimethylquinolin-5-yl)-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylquinolin-5-yl)-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide
PubChem CID75578020
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC NameN-(2,6-dimethylquinolin-5-yl)-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide
SMILESCc1ccc2c(NC(=O)C3=CN(C)C(=O)NC3c3ccc(F)cc3)c(C)ccc2n1
InChIInChI=1S/C23H21FN4O2/c1-13-4-11-19-17(10-5-14(2)25-19)20(13)26-22(29)18-12-28(3)23(30)27-21(18)15-6-8-16(24)9-7-15/h4-12,21H,1-3H3,(H,26,29)(H,27,30)
InChIKeyXEOAKIKKFATYSU-UHFFFAOYSA-N
XLogP4.21
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylquinolin-5-yl)-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
The IUPAC name of N-(2,6-dimethylquinolin-5-yl)-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide (CID 75578020) is N-(2,6-dimethylquinolin-5-yl)-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,6-dimethylquinolin-5-yl)-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
The canonical SMILES for N-(2,6-dimethylquinolin-5-yl)-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide is Cc1ccc2c(NC(=O)C3=CN(C)C(=O)NC3c3ccc(F)cc3)c(C)ccc2n1.
What is the InChIKey of N-(2,6-dimethylquinolin-5-yl)-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
The InChIKey is XEOAKIKKFATYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-13-4-11-19-17(10-5-14(2)25-19)20(13)26-22(29)18-12-28(3)23(30)27-21(18)15-6-8-16(24)9-7-15/h4-12,21H,1-3H3,(H,26,29)(H,27,30).
What are the key properties of N-(2,6-dimethylquinolin-5-yl)-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
N-(2,6-dimethylquinolin-5-yl)-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide has a molecular weight of 404.45 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylquinolin-5-yl)-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 75578020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).