7-[(4-ethoxy-3-methoxyphenyl)-[(5-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol

C25H25N3O3 — CID 44555339

IUPAC7-[(4-ethoxy-3-methoxyphenyl)-[(5-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol
SMILESCCOc1ccc(C(Nc2cncc(C)c2)c2ccc3cccnc3c2O)cc1OC
InChIInChI=1S/C25H25N3O3/c1-4-31-21-10-8-18(13-22(21)30-3)23(28-19-12-16(2)14-26-15-19)20-9-7-17-6-5-11-27-24(17)25(20)29/h5-15,23,28-29H,4H2,1-3H3
InChIKeyWTBXTBUGWIJAEY-UHFFFAOYSA-N
MW415.49 g/mol
LogP5.25
Rot. Bonds7

About 7-[(4-ethoxy-3-methoxyphenyl)-[(5-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol

7-[(4-ethoxy-3-methoxyphenyl)-[(5-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol (PubChem CID 44555339) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 7-[(4-ethoxy-3-methoxyphenyl)-[(5-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(4-ethoxy-3-methoxyphenyl)-[(5-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol
PubChem CID44555339
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name7-[(4-ethoxy-3-methoxyphenyl)-[(5-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol
SMILESCCOc1ccc(C(Nc2cncc(C)c2)c2ccc3cccnc3c2O)cc1OC
InChIInChI=1S/C25H25N3O3/c1-4-31-21-10-8-18(13-22(21)30-3)23(28-19-12-16(2)14-26-15-19)20-9-7-17-6-5-11-27-24(17)25(20)29/h5-15,23,28-29H,4H2,1-3H3
InChIKeyWTBXTBUGWIJAEY-UHFFFAOYSA-N
XLogP5.25
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.49
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-[(4-ethoxy-3-methoxyphenyl)-[(5-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol with MolForge

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Related Compounds

7-[(4-ethoxy-3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 2906710
7-[(3-hydroxy-4-methoxyphenyl)-(3-methylanilino)methyl]quinolin-8-ol
CID 131971975
7-[(3-ethoxy-4-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 2907339
7-[(3-ethoxy-4-methoxyphenyl)-[(4-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol
CID 6009252
7-[(4-ethoxy-3-methoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
CID 2922621
N-[(3,4-dimethoxyphenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 2872334
7-[(3-methoxy-4-prop-2-enoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2966384
7-[(3-ethoxy-4-phenylmethoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 2895088
7-[(S)-(2-methoxy-5-methylanilino)-pyridin-4-ylmethyl]quinolin-8-ol
CID 35026479
7-[(4-hydroxy-3,5-dimethoxyphenyl)-[(5-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 162668822
7-[(R)-(3-bromo-4-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 26366116
7-[(R)-(3-ethoxy-4-methoxyphenyl)-(pyridin-2-ylamino)methyl]-2-methylquinolin-8-ol
CID 7045638

Frequently Asked Questions

What is the IUPAC name of 7-[(4-ethoxy-3-methoxyphenyl)-[(5-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol?
The IUPAC name of 7-[(4-ethoxy-3-methoxyphenyl)-[(5-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol (CID 44555339) is 7-[(4-ethoxy-3-methoxyphenyl)-[(5-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(4-ethoxy-3-methoxyphenyl)-[(5-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol?
The canonical SMILES for 7-[(4-ethoxy-3-methoxyphenyl)-[(5-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol is CCOc1ccc(C(Nc2cncc(C)c2)c2ccc3cccnc3c2O)cc1OC.
What is the InChIKey of 7-[(4-ethoxy-3-methoxyphenyl)-[(5-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol?
The InChIKey is WTBXTBUGWIJAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-4-31-21-10-8-18(13-22(21)30-3)23(28-19-12-16(2)14-26-15-19)20-9-7-17-6-5-11-27-24(17)25(20)29/h5-15,23,28-29H,4H2,1-3H3.
What are the key properties of 7-[(4-ethoxy-3-methoxyphenyl)-[(5-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol?
7-[(4-ethoxy-3-methoxyphenyl)-[(5-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol has a molecular weight of 415.49 g/mol, XLogP of 5.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-ethoxy-3-methoxyphenyl)-[(5-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol is sourced from PubChem (CID 44555339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).