6-bromo-2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide

C15H15BrN2O3 — CID 4127904

IUPAC6-bromo-2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(=O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C15H15BrN2O3/c16-9-3-4-13-11(6-9)12(7-14(19)18-13)15(20)17-8-10-2-1-5-21-10/h3-4,6-7,10H,1-2,5,8H2,(H,17,20)(H,18,19)
InChIKeyVTJZUUXCVWRQCM-UHFFFAOYSA-N
MW351.20 g/mol
LogP2.20
Rot. Bonds3

About 6-bromo-2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide

6-bromo-2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide (PubChem CID 4127904) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is 6-bromo-2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide
PubChem CID4127904
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Name6-bromo-2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(=O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C15H15BrN2O3/c16-9-3-4-13-11(6-9)12(7-14(19)18-13)15(20)17-8-10-2-1-5-21-10/h3-4,6-7,10H,1-2,5,8H2,(H,17,20)(H,18,19)
InChIKeyVTJZUUXCVWRQCM-UHFFFAOYSA-N
XLogP2.20
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide?
The IUPAC name of 6-bromo-2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide (CID 4127904) is 6-bromo-2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide?
The canonical SMILES for 6-bromo-2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide is O=C(NCC1CCCO1)c1cc(=O)[nH]c2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide?
The InChIKey is VTJZUUXCVWRQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c16-9-3-4-13-11(6-9)12(7-14(19)18-13)15(20)17-8-10-2-1-5-21-10/h3-4,6-7,10H,1-2,5,8H2,(H,17,20)(H,18,19).
What are the key properties of 6-bromo-2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide?
6-bromo-2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide has a molecular weight of 351.20 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide is sourced from PubChem (CID 4127904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).