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

C21H20N4O3 — CID 71533091

IUPAC5-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NCc1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1
InChIInChI=1S/C21H20N4O3/c1-13-20(24-12-28-13)21(27)23-10-14-7-17(11-22-9-14)15-3-5-18-16(8-15)4-6-19(26)25(18)2/h3,5,7-9,11-12H,4,6,10H2,1-2H3,(H,23,27)
InChIKeyAWEQOOUPFFQHIV-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.88
Rot. Bonds4

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

5-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 71533091) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 5-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID71533091
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name5-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NCc1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1
InChIInChI=1S/C21H20N4O3/c1-13-20(24-12-28-13)21(27)23-10-14-7-17(11-22-9-14)15-3-5-18-16(8-15)4-6-19(26)25(18)2/h3,5,7-9,11-12H,4,6,10H2,1-2H3,(H,23,27)
InChIKeyAWEQOOUPFFQHIV-UHFFFAOYSA-N
XLogP2.88
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-1,3-oxazole-4-carboxamide (CID 71533091) is 5-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)NCc1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1.
What is the InChIKey of 5-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is AWEQOOUPFFQHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-13-20(24-12-28-13)21(27)23-10-14-7-17(11-22-9-14)15-3-5-18-16(8-15)4-6-19(26)25(18)2/h3,5,7-9,11-12H,4,6,10H2,1-2H3,(H,23,27).
What are the key properties of 5-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-1,3-oxazole-4-carboxamide?
5-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 71533091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).