2,4-dimethyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)-1,3-oxazole-5-carboxamide

C19H20N4O2 — CID 131911967

IUPAC2,4-dimethyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(N3CCCC3)c3ncccc23)o1
InChIInChI=1S/C19H20N4O2/c1-12-18(25-13(2)21-12)19(24)22-15-7-8-16(23-10-3-4-11-23)17-14(15)6-5-9-20-17/h5-9H,3-4,10-11H2,1-2H3,(H,22,24)
InChIKeyXQBYWGKGIBZIQE-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.69
Rot. Bonds3

About 2,4-dimethyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)-1,3-oxazole-5-carboxamide

2,4-dimethyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)-1,3-oxazole-5-carboxamide (PubChem CID 131911967) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2,4-dimethyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)-1,3-oxazole-5-carboxamide
PubChem CID131911967
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2,4-dimethyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(N3CCCC3)c3ncccc23)o1
InChIInChI=1S/C19H20N4O2/c1-12-18(25-13(2)21-12)19(24)22-15-7-8-16(23-10-3-4-11-23)17-14(15)6-5-9-20-17/h5-9H,3-4,10-11H2,1-2H3,(H,22,24)
InChIKeyXQBYWGKGIBZIQE-UHFFFAOYSA-N
XLogP3.69
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)-1,3-oxazole-5-carboxamide (CID 131911967) is 2,4-dimethyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2ccc(N3CCCC3)c3ncccc23)o1.
What is the InChIKey of 2,4-dimethyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)-1,3-oxazole-5-carboxamide?
The InChIKey is XQBYWGKGIBZIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12-18(25-13(2)21-12)19(24)22-15-7-8-16(23-10-3-4-11-23)17-14(15)6-5-9-20-17/h5-9H,3-4,10-11H2,1-2H3,(H,22,24).
What are the key properties of 2,4-dimethyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)-1,3-oxazole-5-carboxamide?
2,4-dimethyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)-1,3-oxazole-5-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 131911967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).