7-[(S)-(2-methoxy-5-methylanilino)-pyridin-4-ylmethyl]quinolin-8-ol

C23H21N3O2 — CID 35026479

IUPAC7-[(S)-(2-methoxy-5-methylanilino)-pyridin-4-ylmethyl]quinolin-8-ol
SMILESCOc1ccc(C)cc1N[C@@H](c1ccncc1)c1ccc2cccnc2c1O
InChIInChI=1S/C23H21N3O2/c1-15-5-8-20(28-2)19(14-15)26-21(17-9-12-24-13-10-17)18-7-6-16-4-3-11-25-22(16)23(18)27/h3-14,21,26-27H,1-2H3/t21-/m0/s1
InChIKeyFWHHREVSKQPYBZ-NRFANRHFSA-N
MW371.44 g/mol
LogP4.85
Rot. Bonds5

About 7-[(S)-(2-methoxy-5-methylanilino)-pyridin-4-ylmethyl]quinolin-8-ol

7-[(S)-(2-methoxy-5-methylanilino)-pyridin-4-ylmethyl]quinolin-8-ol (PubChem CID 35026479) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 7-[(S)-(2-methoxy-5-methylanilino)-pyridin-4-ylmethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(S)-(2-methoxy-5-methylanilino)-pyridin-4-ylmethyl]quinolin-8-ol
PubChem CID35026479
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name7-[(S)-(2-methoxy-5-methylanilino)-pyridin-4-ylmethyl]quinolin-8-ol
SMILESCOc1ccc(C)cc1N[C@@H](c1ccncc1)c1ccc2cccnc2c1O
InChIInChI=1S/C23H21N3O2/c1-15-5-8-20(28-2)19(14-15)26-21(17-9-12-24-13-10-17)18-7-6-16-4-3-11-25-22(16)23(18)27/h3-14,21,26-27H,1-2H3/t21-/m0/s1
InChIKeyFWHHREVSKQPYBZ-NRFANRHFSA-N
XLogP4.85
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-[pyridin-4-yl-(2,4,5-trichloroanilino)methyl]quinolin-8-ol
CID 19233022
7-[(3-hydroxy-4-methoxyphenyl)-(3-methylanilino)methyl]quinolin-8-ol
CID 131971975
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-[(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-[(3-ethoxy-4-methoxyphenyl)-[(4-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol
CID 6009252
7-[(4-ethoxy-3-methoxyphenyl)-[(5-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol
CID 44555339
7-[(4-ethoxyanilino)-pyridin-4-ylmethyl]quinolin-8-ol
CID 16644263
7-[(3,4-dimethoxyanilino)-pyridin-4-ylmethyl]-2-methylquinolin-8-ol
CID 19233281
7-[(R)-(3-bromo-4-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 26366116
7-[(S)-(2,4-dimethylanilino)-pyridin-2-ylmethyl]quinolin-8-ol
CID 1180433

Frequently Asked Questions

What is the IUPAC name of 7-[(S)-(2-methoxy-5-methylanilino)-pyridin-4-ylmethyl]quinolin-8-ol?
The IUPAC name of 7-[(S)-(2-methoxy-5-methylanilino)-pyridin-4-ylmethyl]quinolin-8-ol (CID 35026479) is 7-[(S)-(2-methoxy-5-methylanilino)-pyridin-4-ylmethyl]quinolin-8-ol.
What is the SMILES notation for 7-[(S)-(2-methoxy-5-methylanilino)-pyridin-4-ylmethyl]quinolin-8-ol?
The canonical SMILES for 7-[(S)-(2-methoxy-5-methylanilino)-pyridin-4-ylmethyl]quinolin-8-ol is COc1ccc(C)cc1N[C@@H](c1ccncc1)c1ccc2cccnc2c1O.
What is the InChIKey of 7-[(S)-(2-methoxy-5-methylanilino)-pyridin-4-ylmethyl]quinolin-8-ol?
The InChIKey is FWHHREVSKQPYBZ-NRFANRHFSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-15-5-8-20(28-2)19(14-15)26-21(17-9-12-24-13-10-17)18-7-6-16-4-3-11-25-22(16)23(18)27/h3-14,21,26-27H,1-2H3/t21-/m0/s1.
What are the key properties of 7-[(S)-(2-methoxy-5-methylanilino)-pyridin-4-ylmethyl]quinolin-8-ol?
7-[(S)-(2-methoxy-5-methylanilino)-pyridin-4-ylmethyl]quinolin-8-ol has a molecular weight of 371.44 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(S)-(2-methoxy-5-methylanilino)-pyridin-4-ylmethyl]quinolin-8-ol is sourced from PubChem (CID 35026479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).