4-amino-N-(8-chloroquinolin-5-yl)oxolane-3-carboxamide

C14H14ClN3O2 — CID 66239246

IUPAC4-amino-N-(8-chloroquinolin-5-yl)oxolane-3-carboxamide
SMILESNC1COCC1C(=O)Nc1ccc(Cl)c2ncccc12
InChIInChI=1S/C14H14ClN3O2/c15-10-3-4-12(8-2-1-5-17-13(8)10)18-14(19)9-6-20-7-11(9)16/h1-5,9,11H,6-7,16H2,(H,18,19)
InChIKeyIJFRKTTXUCVTGU-UHFFFAOYSA-N
MW291.74 g/mol
LogP1.80
Rot. Bonds2

About 4-amino-N-(8-chloroquinolin-5-yl)oxolane-3-carboxamide

4-amino-N-(8-chloroquinolin-5-yl)oxolane-3-carboxamide (PubChem CID 66239246) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 4-amino-N-(8-chloroquinolin-5-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(8-chloroquinolin-5-yl)oxolane-3-carboxamide
PubChem CID66239246
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name4-amino-N-(8-chloroquinolin-5-yl)oxolane-3-carboxamide
SMILESNC1COCC1C(=O)Nc1ccc(Cl)c2ncccc12
InChIInChI=1S/C14H14ClN3O2/c15-10-3-4-12(8-2-1-5-17-13(8)10)18-14(19)9-6-20-7-11(9)16/h1-5,9,11H,6-7,16H2,(H,18,19)
InChIKeyIJFRKTTXUCVTGU-UHFFFAOYSA-N
XLogP1.80
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(8-chloroquinolin-5-yl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(8-chloroquinolin-5-yl)oxolane-3-carboxamide (CID 66239246) is 4-amino-N-(8-chloroquinolin-5-yl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(8-chloroquinolin-5-yl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(8-chloroquinolin-5-yl)oxolane-3-carboxamide is NC1COCC1C(=O)Nc1ccc(Cl)c2ncccc12.
What is the InChIKey of 4-amino-N-(8-chloroquinolin-5-yl)oxolane-3-carboxamide?
The InChIKey is IJFRKTTXUCVTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c15-10-3-4-12(8-2-1-5-17-13(8)10)18-14(19)9-6-20-7-11(9)16/h1-5,9,11H,6-7,16H2,(H,18,19).
What are the key properties of 4-amino-N-(8-chloroquinolin-5-yl)oxolane-3-carboxamide?
4-amino-N-(8-chloroquinolin-5-yl)oxolane-3-carboxamide has a molecular weight of 291.74 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(8-chloroquinolin-5-yl)oxolane-3-carboxamide is sourced from PubChem (CID 66239246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).