7-[(S)-(2-ethylanilino)-pyridin-2-ylmethyl]quinolin-8-ol

C23H21N3O — CID 7453622

IUPAC7-[(S)-(2-ethylanilino)-pyridin-2-ylmethyl]quinolin-8-ol
SMILESCCc1ccccc1N[C@H](c1ccccn1)c1ccc2cccnc2c1O
InChIInChI=1S/C23H21N3O/c1-2-16-8-3-4-10-19(16)26-22(20-11-5-6-14-24-20)18-13-12-17-9-7-15-25-21(17)23(18)27/h3-15,22,26-27H,2H2,1H3/t22-/m0/s1
InChIKeySRAARUSKMRWUGS-QFIPXVFZSA-N
MW355.44 g/mol
LogP5.10
Rot. Bonds5

About 7-[(S)-(2-ethylanilino)-pyridin-2-ylmethyl]quinolin-8-ol

7-[(S)-(2-ethylanilino)-pyridin-2-ylmethyl]quinolin-8-ol (PubChem CID 7453622) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 7-[(S)-(2-ethylanilino)-pyridin-2-ylmethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(S)-(2-ethylanilino)-pyridin-2-ylmethyl]quinolin-8-ol
PubChem CID7453622
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name7-[(S)-(2-ethylanilino)-pyridin-2-ylmethyl]quinolin-8-ol
SMILESCCc1ccccc1N[C@H](c1ccccn1)c1ccc2cccnc2c1O
InChIInChI=1S/C23H21N3O/c1-2-16-8-3-4-10-19(16)26-22(20-11-5-6-14-24-20)18-13-12-17-9-7-15-25-21(17)23(18)27/h3-15,22,26-27H,2H2,1H3/t22-/m0/s1
InChIKeySRAARUSKMRWUGS-QFIPXVFZSA-N
XLogP5.10
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.10
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

7-[(S)-(2,4-dimethylanilino)-pyridin-2-ylmethyl]quinolin-8-ol
CID 1180433
7-[(S)-(4-ethoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol
CID 1185890
7-[(4-methoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol;methoxymethane
CID 19260796
7-[(R)-(3-methylanilino)-pyridin-2-ylmethyl]quinolin-8-ol
CID 35026325
7-[(S)-(4-ethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 1222215
methyl 2-[[(R)-(8-hydroxyquinolin-7-yl)-phenylmethyl]amino]benzoate
CID 6962939
7-[(2-hydroxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol
CID 4130526
7-[(4-fluorophenyl)-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol
CID 19232910
7-[thiophen-2-yl-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol
CID 19232908
7-[(2-hydroxyanilino)-pyridin-1-ium-3-ylmethyl]quinolin-8-ol
CID 4130528
7-[2-(4-ethoxyphenyl)-1-pyridin-2-ylethyl]quinolin-8-ol
CID 58542925
7-[(S)-(4-ethylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol
CID 7106312

Frequently Asked Questions

What is the IUPAC name of 7-[(S)-(2-ethylanilino)-pyridin-2-ylmethyl]quinolin-8-ol?
The IUPAC name of 7-[(S)-(2-ethylanilino)-pyridin-2-ylmethyl]quinolin-8-ol (CID 7453622) is 7-[(S)-(2-ethylanilino)-pyridin-2-ylmethyl]quinolin-8-ol.
What is the SMILES notation for 7-[(S)-(2-ethylanilino)-pyridin-2-ylmethyl]quinolin-8-ol?
The canonical SMILES for 7-[(S)-(2-ethylanilino)-pyridin-2-ylmethyl]quinolin-8-ol is CCc1ccccc1N[C@H](c1ccccn1)c1ccc2cccnc2c1O.
What is the InChIKey of 7-[(S)-(2-ethylanilino)-pyridin-2-ylmethyl]quinolin-8-ol?
The InChIKey is SRAARUSKMRWUGS-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H21N3O/c1-2-16-8-3-4-10-19(16)26-22(20-11-5-6-14-24-20)18-13-12-17-9-7-15-25-21(17)23(18)27/h3-15,22,26-27H,2H2,1H3/t22-/m0/s1.
What are the key properties of 7-[(S)-(2-ethylanilino)-pyridin-2-ylmethyl]quinolin-8-ol?
7-[(S)-(2-ethylanilino)-pyridin-2-ylmethyl]quinolin-8-ol has a molecular weight of 355.44 g/mol, XLogP of 5.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(S)-(2-ethylanilino)-pyridin-2-ylmethyl]quinolin-8-ol is sourced from PubChem (CID 7453622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).