2-(4-hydroxyanilino)-4-methylquinolin-7-ol;hydrochloride

C16H15ClN2O2 — CID 135857461

IUPAC2-(4-hydroxyanilino)-4-methylquinolin-7-ol;hydrochloride
SMILESCc1cc(Nc2ccc(O)cc2)nc2cc(O)ccc12.Cl
InChIInChI=1S/C16H14N2O2.ClH/c1-10-8-16(17-11-2-4-12(19)5-3-11)18-15-9-13(20)6-7-14(10)15;/h2-9,19-20H,1H3,(H,17,18);1H
InChIKeyIJCVRFHAPVQIPA-UHFFFAOYSA-N
MW302.76 g/mol
LogP4.12
Rot. Bonds2

About 2-(4-hydroxyanilino)-4-methylquinolin-7-ol;hydrochloride

2-(4-hydroxyanilino)-4-methylquinolin-7-ol;hydrochloride (PubChem CID 135857461) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 2-(4-hydroxyanilino)-4-methylquinolin-7-ol;hydrochloride.

Molecular Properties

Compound Name2-(4-hydroxyanilino)-4-methylquinolin-7-ol;hydrochloride
PubChem CID135857461
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name2-(4-hydroxyanilino)-4-methylquinolin-7-ol;hydrochloride
SMILESCc1cc(Nc2ccc(O)cc2)nc2cc(O)ccc12.Cl
InChIInChI=1S/C16H14N2O2.ClH/c1-10-8-16(17-11-2-4-12(19)5-3-11)18-15-9-13(20)6-7-14(10)15;/h2-9,19-20H,1H3,(H,17,18);1H
InChIKeyIJCVRFHAPVQIPA-UHFFFAOYSA-N
XLogP4.12
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-Methyl-2-(4-phenylmethoxyanilino)quinolin-7-ol
CID 135609775
2-Fluoranyl-3-[6-[(4-fluoranyl-3-oxidanyl-phenyl)-methyl-amino]pyridin-2-yl]phenol
CID 134158355
2-(4-Hydroxyphenyl)-4-vinylquinolin-6-ol
CID 135409729
4-Ethyl-2-(4-hydroxyphenyl)quinolin-6-ol
CID 135430317
2-[(2,3-Dimethylphenyl)amino]-4-methylquinolin-5-ol
CID 135521448
N-(4-methoxyphenyl)-4-methylquinolin-2-amine
CID 812368
3-[(2-Phenylquinazolin-4-yl)amino]phenol
CID 693197
4-[(2-Phenyl-4-quinazolinyl)amino]phenol
CID 693198
2-[4-[Cyclopentyl(methyl)amino]piperidin-1-yl]-4-methylquinolin-7-ol
CID 5307341
3-[4-(2-Hydroxy-ethylamino)-quinazolin-2-ylamino]-phenol
CID 16187033
2-(4-Ethylanilino)-4-methylquinolin-7-ol;hydrochloride
CID 135971382
2-[2-(4-Methyl-piperazin-1-yl)-3-vinyl-quinolin-4-yl]-phenol
CID 136109175

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyanilino)-4-methylquinolin-7-ol;hydrochloride?
The IUPAC name of 2-(4-hydroxyanilino)-4-methylquinolin-7-ol;hydrochloride (CID 135857461) is 2-(4-hydroxyanilino)-4-methylquinolin-7-ol;hydrochloride.
What is the SMILES notation for 2-(4-hydroxyanilino)-4-methylquinolin-7-ol;hydrochloride?
The canonical SMILES for 2-(4-hydroxyanilino)-4-methylquinolin-7-ol;hydrochloride is Cc1cc(Nc2ccc(O)cc2)nc2cc(O)ccc12.Cl.
What is the InChIKey of 2-(4-hydroxyanilino)-4-methylquinolin-7-ol;hydrochloride?
The InChIKey is IJCVRFHAPVQIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2.ClH/c1-10-8-16(17-11-2-4-12(19)5-3-11)18-15-9-13(20)6-7-14(10)15;/h2-9,19-20H,1H3,(H,17,18);1H.
What are the key properties of 2-(4-hydroxyanilino)-4-methylquinolin-7-ol;hydrochloride?
2-(4-hydroxyanilino)-4-methylquinolin-7-ol;hydrochloride has a molecular weight of 302.76 g/mol, XLogP of 4.12, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyanilino)-4-methylquinolin-7-ol;hydrochloride is sourced from PubChem (CID 135857461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).