2-(4-bromophenoxy)quinoline-4-carboxamide

C16H11BrN2O2 — CID 749895

IUPAC2-(4-bromophenoxy)quinoline-4-carboxamide
SMILESNC(=O)c1cc(Oc2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C16H11BrN2O2/c17-10-5-7-11(8-6-10)21-15-9-13(16(18)20)12-3-1-2-4-14(12)19-15/h1-9H,(H2,18,20)
InChIKeyWPDCZDJNPVPDTR-UHFFFAOYSA-N
MW343.18 g/mol
LogP3.89
Rot. Bonds3

About 2-(4-bromophenoxy)quinoline-4-carboxamide

2-(4-bromophenoxy)quinoline-4-carboxamide (PubChem CID 749895) has the molecular formula C16H11BrN2O2 and a molecular weight of 343.18 g/mol. Its IUPAC name is 2-(4-bromophenoxy)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)quinoline-4-carboxamide
PubChem CID749895
Molecular FormulaC16H11BrN2O2
Molecular Weight343.18 g/mol
Exact Mass342.00
IUPAC Name2-(4-bromophenoxy)quinoline-4-carboxamide
SMILESNC(=O)c1cc(Oc2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C16H11BrN2O2/c17-10-5-7-11(8-6-10)21-15-9-13(16(18)20)12-3-1-2-4-14(12)19-15/h1-9H,(H2,18,20)
InChIKeyWPDCZDJNPVPDTR-UHFFFAOYSA-N
XLogP3.89
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenoxy)quinoline-4-carboximidamide
CID 63884544
2-(4-bromophenoxy)-N-phenylquinoline-4-carboxamide
CID 1126008
[2-(4-bromophenoxy)quinolin-4-yl]-morpholin-4-ylmethanone
CID 8002841
1-(4-bromophenoxy)isoquinoline-3-carboxylic acid
CID 43343300
2-(3-aminocyclopentyl)oxyquinoline-4-carboxamide
CID 79464571
2-phenoxyquinolin-4-amine
CID 158312324
2-formylquinoline-4-carboxamide
CID 15560688
2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide
CID 59930142
4-(4-bromophenyl)quinoline-2-carboxamide
CID 71566349
2-(pyrrolidin-3-ylmethoxy)quinoline-4-carboxamide
CID 63886225
2-(3-methylphenoxy)quinoline-4-carboximidamide
CID 63884736
2-(4-bromophenyl)-N-(diaminomethylidene)quinoline-4-carboxamide
CID 19955905

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)quinoline-4-carboxamide?
The IUPAC name of 2-(4-bromophenoxy)quinoline-4-carboxamide (CID 749895) is 2-(4-bromophenoxy)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-bromophenoxy)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-bromophenoxy)quinoline-4-carboxamide is NC(=O)c1cc(Oc2ccc(Br)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-bromophenoxy)quinoline-4-carboxamide?
The InChIKey is WPDCZDJNPVPDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O2/c17-10-5-7-11(8-6-10)21-15-9-13(16(18)20)12-3-1-2-4-14(12)19-15/h1-9H,(H2,18,20).
What are the key properties of 2-(4-bromophenoxy)quinoline-4-carboxamide?
2-(4-bromophenoxy)quinoline-4-carboxamide has a molecular weight of 343.18 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)quinoline-4-carboxamide is sourced from PubChem (CID 749895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).