7,8-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide

C21H18N4O2 — CID 1261272

IUPAC7,8-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3cccnc3)nc3c(C)c(C)ccc23)no1
InChIInChI=1S/C21H18N4O2/c1-12-6-7-16-17(21(26)24-19-9-13(2)27-25-19)10-18(23-20(16)14(12)3)15-5-4-8-22-11-15/h4-11H,1-3H3,(H,24,25,26)
InChIKeySAGYMJMERBAYPA-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.46
Rot. Bonds3

About 7,8-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide

7,8-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 1261272) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 7,8-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name7,8-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID1261272
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name7,8-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3cccnc3)nc3c(C)c(C)ccc23)no1
InChIInChI=1S/C21H18N4O2/c1-12-6-7-16-17(21(26)24-19-9-13(2)27-25-19)10-18(23-20(16)14(12)3)15-5-4-8-22-11-15/h4-11H,1-3H3,(H,24,25,26)
InChIKeySAGYMJMERBAYPA-UHFFFAOYSA-N
XLogP4.46
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of 7,8-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide (CID 1261272) is 7,8-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for 7,8-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for 7,8-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide is Cc1cc(NC(=O)c2cc(-c3cccnc3)nc3c(C)c(C)ccc23)no1.
What is the InChIKey of 7,8-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is SAGYMJMERBAYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-12-6-7-16-17(21(26)24-19-9-13(2)27-25-19)10-18(23-20(16)14(12)3)15-5-4-8-22-11-15/h4-11H,1-3H3,(H,24,25,26).
What are the key properties of 7,8-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide?
7,8-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 1261272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).