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

C24H28N4O3 — CID 159961795

IUPAC3,5-dimethyl-N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]-1,2-oxazole-4-carboxamide;methane
SMILESC.Cc1noc(C)c1C(=O)NC(C)c1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1
InChIInChI=1S/C23H24N4O3.CH4/c1-13(25-23(29)22-14(2)26-30-15(22)3)18-10-19(12-24-11-18)16-5-7-20-17(9-16)6-8-21(28)27(20)4;/h5,7,9-13H,6,8H2,1-4H3,(H,25,29);1H4
InChIKeyODKRZOZCRROUNX-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.39
Rot. Bonds4

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

3,5-dimethyl-N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]-1,2-oxazole-4-carboxamide;methane (PubChem CID 159961795) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 3,5-dimethyl-N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]-1,2-oxazole-4-carboxamide;methane.

Molecular Properties

Compound Name3,5-dimethyl-N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]-1,2-oxazole-4-carboxamide;methane
PubChem CID159961795
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name3,5-dimethyl-N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]-1,2-oxazole-4-carboxamide;methane
SMILESC.Cc1noc(C)c1C(=O)NC(C)c1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1
InChIInChI=1S/C23H24N4O3.CH4/c1-13(25-23(29)22-14(2)26-30-15(22)3)18-10-19(12-24-11-18)16-5-7-20-17(9-16)6-8-21(28)27(20)4;/h5,7,9-13H,6,8H2,1-4H3,(H,25,29);1H4
InChIKeyODKRZOZCRROUNX-UHFFFAOYSA-N
XLogP4.39
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]-1,2-oxazole-4-carboxamide;methane?
The IUPAC name of 3,5-dimethyl-N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]-1,2-oxazole-4-carboxamide;methane (CID 159961795) is 3,5-dimethyl-N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]-1,2-oxazole-4-carboxamide;methane.
What is the SMILES notation for 3,5-dimethyl-N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]-1,2-oxazole-4-carboxamide;methane?
The canonical SMILES for 3,5-dimethyl-N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]-1,2-oxazole-4-carboxamide;methane is C.Cc1noc(C)c1C(=O)NC(C)c1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1.
What is the InChIKey of 3,5-dimethyl-N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]-1,2-oxazole-4-carboxamide;methane?
The InChIKey is ODKRZOZCRROUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3.CH4/c1-13(25-23(29)22-14(2)26-30-15(22)3)18-10-19(12-24-11-18)16-5-7-20-17(9-16)6-8-21(28)27(20)4;/h5,7,9-13H,6,8H2,1-4H3,(H,25,29);1H4.
What are the key properties of 3,5-dimethyl-N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]-1,2-oxazole-4-carboxamide;methane?
3,5-dimethyl-N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]-1,2-oxazole-4-carboxamide;methane has a molecular weight of 420.51 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]-1,2-oxazole-4-carboxamide;methane is sourced from PubChem (CID 159961795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).