2-amino-5,8-dibromo-N-(2-phenylethyl)quinoline-3-carboxamide

C18H15Br2N3O — CID 53299576

IUPAC2-amino-5,8-dibromo-N-(2-phenylethyl)quinoline-3-carboxamide
SMILESNc1nc2c(Br)ccc(Br)c2cc1C(=O)NCCc1ccccc1
InChIInChI=1S/C18H15Br2N3O/c19-14-6-7-15(20)16-12(14)10-13(17(21)23-16)18(24)22-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,21,23)(H,22,24)
InChIKeyBYKWRIJCAGERJU-UHFFFAOYSA-N
MW449.15 g/mol
LogP4.31
Rot. Bonds4

About 2-amino-5,8-dibromo-N-(2-phenylethyl)quinoline-3-carboxamide

2-amino-5,8-dibromo-N-(2-phenylethyl)quinoline-3-carboxamide (PubChem CID 53299576) has the molecular formula C18H15Br2N3O and a molecular weight of 449.15 g/mol. Its IUPAC name is 2-amino-5,8-dibromo-N-(2-phenylethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name2-amino-5,8-dibromo-N-(2-phenylethyl)quinoline-3-carboxamide
PubChem CID53299576
Molecular FormulaC18H15Br2N3O
Molecular Weight449.15 g/mol
Exact Mass446.96
IUPAC Name2-amino-5,8-dibromo-N-(2-phenylethyl)quinoline-3-carboxamide
SMILESNc1nc2c(Br)ccc(Br)c2cc1C(=O)NCCc1ccccc1
InChIInChI=1S/C18H15Br2N3O/c19-14-6-7-15(20)16-12(14)10-13(17(21)23-16)18(24)22-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,21,23)(H,22,24)
InChIKeyBYKWRIJCAGERJU-UHFFFAOYSA-N
XLogP4.31
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.15
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 75512255
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CID 102704827
2-amino-5-methyl-N-(2-phenylethyl)benzamide
CID 62073277
2-amino-N-(2-phenylethyl)-1H-benzimidazole-4-carboxamide
CID 68970037
3,5-dibromo-N-(2-phenylethyl)benzamide
CID 107980021
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CID 62315224
2-amino-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide
CID 110852301
4,5-dibromo-N-(2-phenylethyl)thiophene-2-carboxamide
CID 19205118
2-amino-4-bromo-N-(3-phenylpropyl)benzamide
CID 79720097
6-amino-N-(2-phenylethyl)-1H-indole-3-carboxamide
CID 61091496
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
2,3-dihydroxy-N-(2-phenylethyl)benzamide
CID 22895318

Frequently Asked Questions

What is the IUPAC name of 2-amino-5,8-dibromo-N-(2-phenylethyl)quinoline-3-carboxamide?
The IUPAC name of 2-amino-5,8-dibromo-N-(2-phenylethyl)quinoline-3-carboxamide (CID 53299576) is 2-amino-5,8-dibromo-N-(2-phenylethyl)quinoline-3-carboxamide.
What is the SMILES notation for 2-amino-5,8-dibromo-N-(2-phenylethyl)quinoline-3-carboxamide?
The canonical SMILES for 2-amino-5,8-dibromo-N-(2-phenylethyl)quinoline-3-carboxamide is Nc1nc2c(Br)ccc(Br)c2cc1C(=O)NCCc1ccccc1.
What is the InChIKey of 2-amino-5,8-dibromo-N-(2-phenylethyl)quinoline-3-carboxamide?
The InChIKey is BYKWRIJCAGERJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Br2N3O/c19-14-6-7-15(20)16-12(14)10-13(17(21)23-16)18(24)22-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,21,23)(H,22,24).
What are the key properties of 2-amino-5,8-dibromo-N-(2-phenylethyl)quinoline-3-carboxamide?
2-amino-5,8-dibromo-N-(2-phenylethyl)quinoline-3-carboxamide has a molecular weight of 449.15 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,8-dibromo-N-(2-phenylethyl)quinoline-3-carboxamide is sourced from PubChem (CID 53299576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).