(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromofuran-3-yl)methanone

C14H13BrN2O2 — CID 106855124

IUPAC(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromofuran-3-yl)methanone
SMILESNC1Cc2ccccc2N(C(=O)c2ccoc2Br)C1
InChIInChI=1S/C14H13BrN2O2/c15-13-11(5-6-19-13)14(18)17-8-10(16)7-9-3-1-2-4-12(9)17/h1-6,10H,7-8,16H2
InChIKeyBOVALGAFZNTELL-UHFFFAOYSA-N
MW321.17 g/mol
LogP2.57
Rot. Bonds1

About (3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromofuran-3-yl)methanone

(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromofuran-3-yl)methanone (PubChem CID 106855124) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is (3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromofuran-3-yl)methanone.

Molecular Properties

Compound Name(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromofuran-3-yl)methanone
PubChem CID106855124
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromofuran-3-yl)methanone
SMILESNC1Cc2ccccc2N(C(=O)c2ccoc2Br)C1
InChIInChI=1S/C14H13BrN2O2/c15-13-11(5-6-19-13)14(18)17-8-10(16)7-9-3-1-2-4-12(9)17/h1-6,10H,7-8,16H2
InChIKeyBOVALGAFZNTELL-UHFFFAOYSA-N
XLogP2.57
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromofuran-3-yl)methanone?
The IUPAC name of (3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromofuran-3-yl)methanone (CID 106855124) is (3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromofuran-3-yl)methanone.
What is the SMILES notation for (3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromofuran-3-yl)methanone?
The canonical SMILES for (3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromofuran-3-yl)methanone is NC1Cc2ccccc2N(C(=O)c2ccoc2Br)C1.
What is the InChIKey of (3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromofuran-3-yl)methanone?
The InChIKey is BOVALGAFZNTELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c15-13-11(5-6-19-13)14(18)17-8-10(16)7-9-3-1-2-4-12(9)17/h1-6,10H,7-8,16H2.
What are the key properties of (3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromofuran-3-yl)methanone?
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromofuran-3-yl)methanone has a molecular weight of 321.17 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromofuran-3-yl)methanone is sourced from PubChem (CID 106855124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).