7-[(3-methylanilino)-thiophen-2-ylmethyl]quinolin-8-ol

C21H18N2OS — CID 19232874

IUPAC7-[(3-methylanilino)-thiophen-2-ylmethyl]quinolin-8-ol
SMILESCc1cccc(NC(c2cccs2)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C21H18N2OS/c1-14-5-2-7-16(13-14)23-20(18-8-4-12-25-18)17-10-9-15-6-3-11-22-19(15)21(17)24/h2-13,20,23-24H,1H3
InChIKeyHVKXGLIMMBEGPB-UHFFFAOYSA-N
MW346.46 g/mol
LogP5.51
Rot. Bonds4

About 7-[(3-methylanilino)-thiophen-2-ylmethyl]quinolin-8-ol

7-[(3-methylanilino)-thiophen-2-ylmethyl]quinolin-8-ol (PubChem CID 19232874) has the molecular formula C21H18N2OS and a molecular weight of 346.46 g/mol. Its IUPAC name is 7-[(3-methylanilino)-thiophen-2-ylmethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(3-methylanilino)-thiophen-2-ylmethyl]quinolin-8-ol
PubChem CID19232874
Molecular FormulaC21H18N2OS
Molecular Weight346.46 g/mol
Exact Mass346.11
IUPAC Name7-[(3-methylanilino)-thiophen-2-ylmethyl]quinolin-8-ol
SMILESCc1cccc(NC(c2cccs2)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C21H18N2OS/c1-14-5-2-7-16(13-14)23-20(18-8-4-12-25-18)17-10-9-15-6-3-11-22-19(15)21(17)24/h2-13,20,23-24H,1H3
InChIKeyHVKXGLIMMBEGPB-UHFFFAOYSA-N
XLogP5.51
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.46
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(8-hydroxyquinolin-7-yl)(phenyl)methyl]pentanamide
CID 3129244
N-[(8-Hydroxy-quinolin-7-yl)-p-tolyl-methyl]-butyramide
CID 3129243
N-((8-hydroxyquinolin-7-yl)(4-isopropylphenyl)methyl)acetamide
CID 2921404
N-[(8-Hydroxy-quinolin-7-yl)-(4-isopropyl-phenyl)-methyl]-butyramide
CID 3136125
N-[(8-Hydroxy-quinolin-7-yl)-p-tolyl-methyl]-propionamide
CID 2876744
8-Quinolinol, 7-(alpha-2-benzothiazolylaminobenzyl)-
CID 3056875
N-[(8-Hydroxy-5-nitro-quinolin-7-yl)-thiophen-2-yl-methyl]-propionamide
CID 2921716
7-((3-Hydroxyphenyl)((1,3-thiazol-2-yl)amino)methyl)quinolin-8-ol
CID 3570131
7-(Anilino(phenyl)methyl)-2-methyl-8-quinolinol
CID 248986
Cambridge id 6961519
CID 2920793
N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]pentanamide
CID 2928736
N-[(5-chloro-8-hydroxy-7-quinolyl)-(2-thienyl)methyl]butanamide
CID 2929884

Frequently Asked Questions

What is the IUPAC name of 7-[(3-methylanilino)-thiophen-2-ylmethyl]quinolin-8-ol?
The IUPAC name of 7-[(3-methylanilino)-thiophen-2-ylmethyl]quinolin-8-ol (CID 19232874) is 7-[(3-methylanilino)-thiophen-2-ylmethyl]quinolin-8-ol.
What is the SMILES notation for 7-[(3-methylanilino)-thiophen-2-ylmethyl]quinolin-8-ol?
The canonical SMILES for 7-[(3-methylanilino)-thiophen-2-ylmethyl]quinolin-8-ol is Cc1cccc(NC(c2cccs2)c2ccc3cccnc3c2O)c1.
What is the InChIKey of 7-[(3-methylanilino)-thiophen-2-ylmethyl]quinolin-8-ol?
The InChIKey is HVKXGLIMMBEGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2OS/c1-14-5-2-7-16(13-14)23-20(18-8-4-12-25-18)17-10-9-15-6-3-11-22-19(15)21(17)24/h2-13,20,23-24H,1H3.
What are the key properties of 7-[(3-methylanilino)-thiophen-2-ylmethyl]quinolin-8-ol?
7-[(3-methylanilino)-thiophen-2-ylmethyl]quinolin-8-ol has a molecular weight of 346.46 g/mol, XLogP of 5.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-methylanilino)-thiophen-2-ylmethyl]quinolin-8-ol is sourced from PubChem (CID 19232874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).