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

C18H19N5O2 — CID 131900939

IUPAC2-(aminomethyl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)-1,3-oxazole-4-carboxamide
SMILESNCc1nc(C(=O)Nc2ccc(N3CCCC3)c3ncccc23)co1
InChIInChI=1S/C18H19N5O2/c19-10-16-21-14(11-25-16)18(24)22-13-5-6-15(23-8-1-2-9-23)17-12(13)4-3-7-20-17/h3-7,11H,1-2,8-10,19H2,(H,22,24)
InChIKeyPPXXYYFVYWYTLD-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.53
Rot. Bonds4

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

2-(aminomethyl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)-1,3-oxazole-4-carboxamide (PubChem CID 131900939) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)-1,3-oxazole-4-carboxamide
PubChem CID131900939
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-(aminomethyl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)-1,3-oxazole-4-carboxamide
SMILESNCc1nc(C(=O)Nc2ccc(N3CCCC3)c3ncccc23)co1
InChIInChI=1S/C18H19N5O2/c19-10-16-21-14(11-25-16)18(24)22-13-5-6-15(23-8-1-2-9-23)17-12(13)4-3-7-20-17/h3-7,11H,1-2,8-10,19H2,(H,22,24)
InChIKeyPPXXYYFVYWYTLD-UHFFFAOYSA-N
XLogP2.53
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)-1,3-oxazole-4-carboxamide (CID 131900939) is 2-(aminomethyl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)-1,3-oxazole-4-carboxamide is NCc1nc(C(=O)Nc2ccc(N3CCCC3)c3ncccc23)co1.
What is the InChIKey of 2-(aminomethyl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is PPXXYYFVYWYTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c19-10-16-21-14(11-25-16)18(24)22-13-5-6-15(23-8-1-2-9-23)17-12(13)4-3-7-20-17/h3-7,11H,1-2,8-10,19H2,(H,22,24).
What are the key properties of 2-(aminomethyl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)-1,3-oxazole-4-carboxamide?
2-(aminomethyl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 131900939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).