N-(7-chloro-8-methylquinolin-2-yl)-5-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide

C18H17ClN4O2 — CID 167859846

IUPACN-(7-chloro-8-methylquinolin-2-yl)-5-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1c(Cl)ccc2ccc(NC(=O)c3ncoc3C3CCCN3)nc12
InChIInChI=1S/C18H17ClN4O2/c1-10-12(19)6-4-11-5-7-14(22-15(10)11)23-18(24)16-17(25-9-21-16)13-3-2-8-20-13/h4-7,9,13,20H,2-3,8H2,1H3,(H,22,23,24)
InChIKeyPPMYGMSGVATBMF-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.86
Rot. Bonds3

About N-(7-chloro-8-methylquinolin-2-yl)-5-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide

N-(7-chloro-8-methylquinolin-2-yl)-5-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 167859846) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-(7-chloro-8-methylquinolin-2-yl)-5-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(7-chloro-8-methylquinolin-2-yl)-5-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
PubChem CID167859846
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC NameN-(7-chloro-8-methylquinolin-2-yl)-5-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1c(Cl)ccc2ccc(NC(=O)c3ncoc3C3CCCN3)nc12
InChIInChI=1S/C18H17ClN4O2/c1-10-12(19)6-4-11-5-7-14(22-15(10)11)23-18(24)16-17(25-9-21-16)13-3-2-8-20-13/h4-7,9,13,20H,2-3,8H2,1H3,(H,22,23,24)
InChIKeyPPMYGMSGVATBMF-UHFFFAOYSA-N
XLogP3.86
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-8-methylquinolin-2-yl)-5-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(7-chloro-8-methylquinolin-2-yl)-5-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide (CID 167859846) is N-(7-chloro-8-methylquinolin-2-yl)-5-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(7-chloro-8-methylquinolin-2-yl)-5-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(7-chloro-8-methylquinolin-2-yl)-5-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide is Cc1c(Cl)ccc2ccc(NC(=O)c3ncoc3C3CCCN3)nc12.
What is the InChIKey of N-(7-chloro-8-methylquinolin-2-yl)-5-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is PPMYGMSGVATBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-10-12(19)6-4-11-5-7-14(22-15(10)11)23-18(24)16-17(25-9-21-16)13-3-2-8-20-13/h4-7,9,13,20H,2-3,8H2,1H3,(H,22,23,24).
What are the key properties of N-(7-chloro-8-methylquinolin-2-yl)-5-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide?
N-(7-chloro-8-methylquinolin-2-yl)-5-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-8-methylquinolin-2-yl)-5-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 167859846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).