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

C15H17BrClN3O2 — CID 119617908

IUPACN-(2-amino-1-cyclopropylethyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)c1cc(=O)[nH]c2c(Br)cccc12)C1CC1
InChIInChI=1S/C15H16BrN3O2.ClH/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);1H
InChIKeyIAXGLMASXNKVND-UHFFFAOYSA-N
MW386.68 g/mol
LogP2.18
Rot. Bonds4

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

N-(2-amino-1-cyclopropylethyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide;hydrochloride (PubChem CID 119617908) has the molecular formula C15H17BrClN3O2 and a molecular weight of 386.68 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
PubChem CID119617908
Molecular FormulaC15H17BrClN3O2
Molecular Weight386.68 g/mol
Exact Mass385.02
IUPAC NameN-(2-amino-1-cyclopropylethyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)c1cc(=O)[nH]c2c(Br)cccc12)C1CC1
InChIInChI=1S/C15H16BrN3O2.ClH/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);1H
InChIKeyIAXGLMASXNKVND-UHFFFAOYSA-N
XLogP2.18
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.68
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119617909
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CID 119614890
N-(2-amino-1-cyclopentylethyl)-3-bromo-2-chlorobenzamide
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N-(2-amino-1-cyclopropylethyl)-2-chlorobenzamide
CID 65188374
8-bromo-N-methyl-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide;hydrochloride
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N-(2-amino-1-cyclopropylethyl)-2-fluorobenzamide
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N-(2-amino-1-cyclopropylethyl)-2-methylsulfanylbenzamide;hydrochloride
CID 119614072
N-(2-amino-1-cyclopropylethyl)-3-bromofuran-2-carboxamide;hydrochloride
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CID 86813170

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide;hydrochloride (CID 119617908) is N-(2-amino-1-cyclopropylethyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide;hydrochloride is Cl.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;hydrochloride?
The InChIKey is IAXGLMASXNKVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2.ClH/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);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-8-bromo-2-oxo-1H-quinoline-4-carboxamide;hydrochloride has a molecular weight of 386.68 g/mol, XLogP of 2.18, 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;hydrochloride is sourced from PubChem (CID 119617908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).