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

C22H22N4O3 — CID 71533637

IUPAC3,5-dimethyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCc1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1
InChIInChI=1S/C22H22N4O3/c1-13-21(14(2)29-25-13)22(28)24-11-15-8-18(12-23-10-15)16-4-6-19-17(9-16)5-7-20(27)26(19)3/h4,6,8-10,12H,5,7,11H2,1-3H3,(H,24,28)
InChIKeyBUHCIUOLVZXAMY-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.19
Rot. Bonds4

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

3,5-dimethyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-1,2-oxazole-4-carboxamide (PubChem CID 71533637) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 3,5-dimethyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-1,2-oxazole-4-carboxamide
PubChem CID71533637
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name3,5-dimethyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCc1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1
InChIInChI=1S/C22H22N4O3/c1-13-21(14(2)29-25-13)22(28)24-11-15-8-18(12-23-10-15)16-4-6-19-17(9-16)5-7-20(27)26(19)3/h4,6,8-10,12H,5,7,11H2,1-3H3,(H,24,28)
InChIKeyBUHCIUOLVZXAMY-UHFFFAOYSA-N
XLogP3.19
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.19
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-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-1,2-oxazole-4-carboxamide (CID 71533637) is 3,5-dimethyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NCc1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1.
What is the InChIKey of 3,5-dimethyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is BUHCIUOLVZXAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-13-21(14(2)29-25-13)22(28)24-11-15-8-18(12-23-10-15)16-4-6-19-17(9-16)5-7-20(27)26(19)3/h4,6,8-10,12H,5,7,11H2,1-3H3,(H,24,28).
What are the key properties of 3,5-dimethyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 3.19, 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-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 71533637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).