N-(2-amino-1-cyclopropylethyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide

C15H16BrN3O2 — CID 119617909

IUPACN-(2-amino-1-cyclopropylethyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide
SMILESNCC(NC(=O)c1cc(=O)[nH]c2c(Br)cccc12)C1CC1
InChIInChI=1S/C15H16BrN3O2/c16-11-3-1-2-9-10(6-13(20)19-14(9)11)15(21)18-12(7-17)8-4-5-8/h1-3,6,8,12H,4-5,7,17H2,(H,18,21)(H,19,20)
InChIKeyROEUIYUIPFAAHX-UHFFFAOYSA-N
MW350.22 g/mol
LogP1.76
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide

N-(2-amino-1-cyclopropylethyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 119617909) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide
PubChem CID119617909
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC NameN-(2-amino-1-cyclopropylethyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide
SMILESNCC(NC(=O)c1cc(=O)[nH]c2c(Br)cccc12)C1CC1
InChIInChI=1S/C15H16BrN3O2/c16-11-3-1-2-9-10(6-13(20)19-14(9)11)15(21)18-12(7-17)8-4-5-8/h1-3,6,8,12H,4-5,7,17H2,(H,18,21)(H,19,20)
InChIKeyROEUIYUIPFAAHX-UHFFFAOYSA-N
XLogP1.76
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide (CID 119617909) is N-(2-amino-1-cyclopropylethyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide is NCC(NC(=O)c1cc(=O)[nH]c2c(Br)cccc12)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is ROEUIYUIPFAAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c16-11-3-1-2-9-10(6-13(20)19-14(9)11)15(21)18-12(7-17)8-4-5-8/h1-3,6,8,12H,4-5,7,17H2,(H,18,21)(H,19,20).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide?
N-(2-amino-1-cyclopropylethyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 350.22 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 119617909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).