7-[(3-hydroxy-4-methoxyphenyl)-(3-methylanilino)methyl]quinolin-8-ol

C24H22N2O3 — CID 131971975

IUPAC7-[(3-hydroxy-4-methoxyphenyl)-(3-methylanilino)methyl]quinolin-8-ol
SMILESCOc1ccc(C(Nc2cccc(C)c2)c2ccc3cccnc3c2O)cc1O
InChIInChI=1S/C24H22N2O3/c1-15-5-3-7-18(13-15)26-22(17-9-11-21(29-2)20(27)14-17)19-10-8-16-6-4-12-25-23(16)24(19)28/h3-14,22,26-28H,1-2H3
InChIKeyIBHSTBMUDWNDND-UHFFFAOYSA-N
MW386.45 g/mol
LogP5.16
Rot. Bonds5

About 7-[(3-hydroxy-4-methoxyphenyl)-(3-methylanilino)methyl]quinolin-8-ol

7-[(3-hydroxy-4-methoxyphenyl)-(3-methylanilino)methyl]quinolin-8-ol (PubChem CID 131971975) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 7-[(3-hydroxy-4-methoxyphenyl)-(3-methylanilino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(3-hydroxy-4-methoxyphenyl)-(3-methylanilino)methyl]quinolin-8-ol
PubChem CID131971975
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name7-[(3-hydroxy-4-methoxyphenyl)-(3-methylanilino)methyl]quinolin-8-ol
SMILESCOc1ccc(C(Nc2cccc(C)c2)c2ccc3cccnc3c2O)cc1O
InChIInChI=1S/C24H22N2O3/c1-15-5-3-7-18(13-15)26-22(17-9-11-21(29-2)20(27)14-17)19-10-8-16-6-4-12-25-23(16)24(19)28/h3-14,22,26-28H,1-2H3
InChIKeyIBHSTBMUDWNDND-UHFFFAOYSA-N
XLogP5.16
TPSA74.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-[(3-hydroxy-4-methoxyphenyl)-(3-methylanilino)methyl]quinolin-8-ol with MolForge

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Related Compounds

7-[(4-ethoxy-3-methoxyphenyl)-[(5-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol
CID 44555339
7-[(R)-(3-methylanilino)-pyridin-2-ylmethyl]quinolin-8-ol
CID 35026325
7-[(3-methylanilino)-thiophen-2-ylmethyl]quinolin-8-ol
CID 19232874
7-[(4-ethoxy-3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 2906710
7-[(3-ethoxy-4-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 2907339
7-[(S)-(2-methoxy-5-methylanilino)-pyridin-4-ylmethyl]quinolin-8-ol
CID 35026479
7-[(R)-(3-bromo-4-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 26366116
7-[(3-ethoxy-4-methoxyphenyl)-[(4-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol
CID 6009252
N-[(3,4-dimethoxyphenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 2872334
7-[(4-hydroxy-3,5-dimethoxyphenyl)-[(5-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 162668822
7-[(R)-(2-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 7500417
7-[(3-chloro-4-methoxyanilino)-(furan-2-yl)methyl]quinolin-8-ol
CID 19233262

Frequently Asked Questions

What is the IUPAC name of 7-[(3-hydroxy-4-methoxyphenyl)-(3-methylanilino)methyl]quinolin-8-ol?
The IUPAC name of 7-[(3-hydroxy-4-methoxyphenyl)-(3-methylanilino)methyl]quinolin-8-ol (CID 131971975) is 7-[(3-hydroxy-4-methoxyphenyl)-(3-methylanilino)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(3-hydroxy-4-methoxyphenyl)-(3-methylanilino)methyl]quinolin-8-ol?
The canonical SMILES for 7-[(3-hydroxy-4-methoxyphenyl)-(3-methylanilino)methyl]quinolin-8-ol is COc1ccc(C(Nc2cccc(C)c2)c2ccc3cccnc3c2O)cc1O.
What is the InChIKey of 7-[(3-hydroxy-4-methoxyphenyl)-(3-methylanilino)methyl]quinolin-8-ol?
The InChIKey is IBHSTBMUDWNDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-15-5-3-7-18(13-15)26-22(17-9-11-21(29-2)20(27)14-17)19-10-8-16-6-4-12-25-23(16)24(19)28/h3-14,22,26-28H,1-2H3.
What are the key properties of 7-[(3-hydroxy-4-methoxyphenyl)-(3-methylanilino)methyl]quinolin-8-ol?
7-[(3-hydroxy-4-methoxyphenyl)-(3-methylanilino)methyl]quinolin-8-ol has a molecular weight of 386.45 g/mol, XLogP of 5.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-hydroxy-4-methoxyphenyl)-(3-methylanilino)methyl]quinolin-8-ol is sourced from PubChem (CID 131971975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).