2,6-dibromo-4-[(quinolin-5-ylamino)methyl]phenol

C16H12Br2N2O — CID 107740450

IUPAC2,6-dibromo-4-[(quinolin-5-ylamino)methyl]phenol
SMILESOc1c(Br)cc(CNc2cccc3ncccc23)cc1Br
InChIInChI=1S/C16H12Br2N2O/c17-12-7-10(8-13(18)16(12)21)9-20-15-5-1-4-14-11(15)3-2-6-19-14/h1-8,20-21H,9H2
InChIKeySVCTZWXNLYODPO-UHFFFAOYSA-N
MW408.09 g/mol
LogP5.08
Rot. Bonds3

About 2,6-dibromo-4-[(quinolin-5-ylamino)methyl]phenol

2,6-dibromo-4-[(quinolin-5-ylamino)methyl]phenol (PubChem CID 107740450) has the molecular formula C16H12Br2N2O and a molecular weight of 408.09 g/mol. Its IUPAC name is 2,6-dibromo-4-[(quinolin-5-ylamino)methyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[(quinolin-5-ylamino)methyl]phenol
PubChem CID107740450
Molecular FormulaC16H12Br2N2O
Molecular Weight408.09 g/mol
Exact Mass405.93
IUPAC Name2,6-dibromo-4-[(quinolin-5-ylamino)methyl]phenol
SMILESOc1c(Br)cc(CNc2cccc3ncccc23)cc1Br
InChIInChI=1S/C16H12Br2N2O/c17-12-7-10(8-13(18)16(12)21)9-20-15-5-1-4-14-11(15)3-2-6-19-14/h1-8,20-21H,9H2
InChIKeySVCTZWXNLYODPO-UHFFFAOYSA-N
XLogP5.08
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.09
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-3-methylphenyl)methyl]quinolin-5-amine
CID 66472775
3-[(quinolin-5-ylamino)methyl]benzene-1,2-diol
CID 61317236
N-[(2-bromo-5-chlorophenyl)methyl]quinolin-5-amine
CID 66161429
N-[(4-bromothiophen-2-yl)methyl]quinolin-5-amine
CID 28972879
N-[(6-methyl-3-pyridinyl)methyl]quinolin-5-amine
CID 104756560
N-(2,2-dimethylpropyl)quinolin-5-amine
CID 61326156
N'-quinolin-5-ylethane-1,2-diamine
CID 81217065
N-[[3-(chloromethyl)phenyl]methyl]quinolin-4-amine
CID 65028486
N-[(3-chlorophenyl)methyl]quinolin-4-amine
CID 62538449
N-(1,3-thiazol-5-ylmethyl)quinolin-5-amine
CID 62758841
N-(3,3-dimethylbutyl)quinolin-5-amine
CID 62965995
N-(cyclopropylmethyl)quinolin-5-amine
CID 43654866

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[(quinolin-5-ylamino)methyl]phenol?
The IUPAC name of 2,6-dibromo-4-[(quinolin-5-ylamino)methyl]phenol (CID 107740450) is 2,6-dibromo-4-[(quinolin-5-ylamino)methyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[(quinolin-5-ylamino)methyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[(quinolin-5-ylamino)methyl]phenol is Oc1c(Br)cc(CNc2cccc3ncccc23)cc1Br.
What is the InChIKey of 2,6-dibromo-4-[(quinolin-5-ylamino)methyl]phenol?
The InChIKey is SVCTZWXNLYODPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2N2O/c17-12-7-10(8-13(18)16(12)21)9-20-15-5-1-4-14-11(15)3-2-6-19-14/h1-8,20-21H,9H2.
What are the key properties of 2,6-dibromo-4-[(quinolin-5-ylamino)methyl]phenol?
2,6-dibromo-4-[(quinolin-5-ylamino)methyl]phenol has a molecular weight of 408.09 g/mol, XLogP of 5.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[(quinolin-5-ylamino)methyl]phenol is sourced from PubChem (CID 107740450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).