4-(3-methoxyanilino)quinoline-6,8-diol;hydrochloride

C16H15ClN2O3 — CID 22417967

IUPAC4-(3-methoxyanilino)quinoline-6,8-diol;hydrochloride
SMILESCOc1cccc(Nc2ccnc3c(O)cc(O)cc23)c1.Cl
InChIInChI=1S/C16H14N2O3.ClH/c1-21-12-4-2-3-10(7-12)18-14-5-6-17-16-13(14)8-11(19)9-15(16)20;/h2-9,19-20H,1H3,(H,17,18);1H
InChIKeyUFFCDTTURRWYQG-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.82
Rot. Bonds3

About 4-(3-methoxyanilino)quinoline-6,8-diol;hydrochloride

4-(3-methoxyanilino)quinoline-6,8-diol;hydrochloride (PubChem CID 22417967) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is 4-(3-methoxyanilino)quinoline-6,8-diol;hydrochloride.

Molecular Properties

Compound Name4-(3-methoxyanilino)quinoline-6,8-diol;hydrochloride
PubChem CID22417967
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name4-(3-methoxyanilino)quinoline-6,8-diol;hydrochloride
SMILESCOc1cccc(Nc2ccnc3c(O)cc(O)cc23)c1.Cl
InChIInChI=1S/C16H14N2O3.ClH/c1-21-12-4-2-3-10(7-12)18-14-5-6-17-16-13(14)8-11(19)9-15(16)20;/h2-9,19-20H,1H3,(H,17,18);1H
InChIKeyUFFCDTTURRWYQG-UHFFFAOYSA-N
XLogP3.82
TPSA74.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-methoxyanilino)quinolin-8-yl]methanesulfonamide;hydrochloride
CID 22417959
6,7-dimethoxy-N-(3-methoxyphenyl)quinolin-4-amine
CID 53264717
7-chloro-N-(3-methoxyphenyl)quinolin-4-amine
CID 50877151
3-[(6,7-dimethoxyquinolin-4-yl)amino]phenol;hydrochloride
CID 22646651
8-hydroxy-N-(3-methoxyphenyl)quinoline-4-sulfonamide
CID 11158687
1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine
CID 19351985
N-[2-(3-methoxyanilino)-4-pyridinyl]hydroxylamine
CID 170189455
7-methoxy-N-(3-methylphenyl)quinolin-4-amine
CID 50877899
4-(3-methoxyanilino)-2-methylquinolin-7-ol;hydrochloride
CID 135802999
4-N-(3-methoxyphenyl)pyridine-3,4-diamine
CID 29067426
N-(3-methoxyphenyl)-4-methylpyrimidin-5-amine
CID 66714164
methyl 2-(3-methoxyanilino)pyridine-4-carboxylate
CID 68663874

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyanilino)quinoline-6,8-diol;hydrochloride?
The IUPAC name of 4-(3-methoxyanilino)quinoline-6,8-diol;hydrochloride (CID 22417967) is 4-(3-methoxyanilino)quinoline-6,8-diol;hydrochloride.
What is the SMILES notation for 4-(3-methoxyanilino)quinoline-6,8-diol;hydrochloride?
The canonical SMILES for 4-(3-methoxyanilino)quinoline-6,8-diol;hydrochloride is COc1cccc(Nc2ccnc3c(O)cc(O)cc23)c1.Cl.
What is the InChIKey of 4-(3-methoxyanilino)quinoline-6,8-diol;hydrochloride?
The InChIKey is UFFCDTTURRWYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3.ClH/c1-21-12-4-2-3-10(7-12)18-14-5-6-17-16-13(14)8-11(19)9-15(16)20;/h2-9,19-20H,1H3,(H,17,18);1H.
What are the key properties of 4-(3-methoxyanilino)quinoline-6,8-diol;hydrochloride?
4-(3-methoxyanilino)quinoline-6,8-diol;hydrochloride has a molecular weight of 318.76 g/mol, XLogP of 3.82, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyanilino)quinoline-6,8-diol;hydrochloride is sourced from PubChem (CID 22417967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).