6-bromo-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-4-oxo-1H-quinoline-2-carboxamide

C19H19BrN4O3 — CID 99807577

IUPAC6-bromo-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-4-oxo-1H-quinoline-2-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)c1nc(C2CC2)no1
InChIInChI=1S/C19H19BrN4O3/c1-9(2)16(19-23-17(24-27-19)10-3-4-10)22-18(26)14-8-15(25)12-7-11(20)5-6-13(12)21-14/h5-10,16H,3-4H2,1-2H3,(H,21,25)(H,22,26)/t16-/m1/s1
InChIKeyICSPOGQOMFJUAM-MRXNPFEDSA-N
MW431.29 g/mol
LogP3.68
Rot. Bonds5

About 6-bromo-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-4-oxo-1H-quinoline-2-carboxamide

6-bromo-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-4-oxo-1H-quinoline-2-carboxamide (PubChem CID 99807577) has the molecular formula C19H19BrN4O3 and a molecular weight of 431.29 g/mol. Its IUPAC name is 6-bromo-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-4-oxo-1H-quinoline-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-4-oxo-1H-quinoline-2-carboxamide
PubChem CID99807577
Molecular FormulaC19H19BrN4O3
Molecular Weight431.29 g/mol
Exact Mass430.06
IUPAC Name6-bromo-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-4-oxo-1H-quinoline-2-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)c1nc(C2CC2)no1
InChIInChI=1S/C19H19BrN4O3/c1-9(2)16(19-23-17(24-27-19)10-3-4-10)22-18(26)14-8-15(25)12-7-11(20)5-6-13(12)21-14/h5-10,16H,3-4H2,1-2H3,(H,21,25)(H,22,26)/t16-/m1/s1
InChIKeyICSPOGQOMFJUAM-MRXNPFEDSA-N
XLogP3.68
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.29
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-bromo-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-4-oxo-1H-quinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-4-oxo-1H-quinoline-2-carboxamide?
The IUPAC name of 6-bromo-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-4-oxo-1H-quinoline-2-carboxamide (CID 99807577) is 6-bromo-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-4-oxo-1H-quinoline-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-4-oxo-1H-quinoline-2-carboxamide?
The canonical SMILES for 6-bromo-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-4-oxo-1H-quinoline-2-carboxamide is CC(C)[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)c1nc(C2CC2)no1.
What is the InChIKey of 6-bromo-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-4-oxo-1H-quinoline-2-carboxamide?
The InChIKey is ICSPOGQOMFJUAM-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19BrN4O3/c1-9(2)16(19-23-17(24-27-19)10-3-4-10)22-18(26)14-8-15(25)12-7-11(20)5-6-13(12)21-14/h5-10,16H,3-4H2,1-2H3,(H,21,25)(H,22,26)/t16-/m1/s1.
What are the key properties of 6-bromo-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-4-oxo-1H-quinoline-2-carboxamide?
6-bromo-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-4-oxo-1H-quinoline-2-carboxamide has a molecular weight of 431.29 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-4-oxo-1H-quinoline-2-carboxamide is sourced from PubChem (CID 99807577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).