2-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C22H19F3N4O3 — CID 71533044

IUPAC2-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2cncc(-c3ccc4c(c3)CCC(=O)N4C)c2)c(C(F)(F)F)o1
InChIInChI=1S/C22H19F3N4O3/c1-12-28-19(20(32-12)22(23,24)25)21(31)27-10-13-7-16(11-26-9-13)14-3-5-17-15(8-14)4-6-18(30)29(17)2/h3,5,7-9,11H,4,6,10H2,1-2H3,(H,27,31)
InChIKeyPVBARMVQVCNWHT-UHFFFAOYSA-N
MW444.41 g/mol
LogP3.90
Rot. Bonds4

About 2-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

2-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 71533044) has the molecular formula C22H19F3N4O3 and a molecular weight of 444.41 g/mol. Its IUPAC name is 2-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID71533044
Molecular FormulaC22H19F3N4O3
Molecular Weight444.41 g/mol
Exact Mass444.14
IUPAC Name2-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2cncc(-c3ccc4c(c3)CCC(=O)N4C)c2)c(C(F)(F)F)o1
InChIInChI=1S/C22H19F3N4O3/c1-12-28-19(20(32-12)22(23,24)25)21(31)27-10-13-7-16(11-26-9-13)14-3-5-17-15(8-14)4-6-18(30)29(17)2/h3,5,7-9,11H,4,6,10H2,1-2H3,(H,27,31)
InChIKeyPVBARMVQVCNWHT-UHFFFAOYSA-N
XLogP3.90
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 71533044) is 2-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)NCc2cncc(-c3ccc4c(c3)CCC(=O)N4C)c2)c(C(F)(F)F)o1.
What is the InChIKey of 2-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is PVBARMVQVCNWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O3/c1-12-28-19(20(32-12)22(23,24)25)21(31)27-10-13-7-16(11-26-9-13)14-3-5-17-15(8-14)4-6-18(30)29(17)2/h3,5,7-9,11H,4,6,10H2,1-2H3,(H,27,31).
What are the key properties of 2-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
2-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 444.41 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 71533044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).