7-[(S)-(4-ethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol

C23H21N3O — CID 1222215

IUPAC7-[(S)-(4-ethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESCCc1ccc([C@H](Nc2ccccn2)c2ccc3cccnc3c2O)cc1
InChIInChI=1S/C23H21N3O/c1-2-16-8-10-18(11-9-16)21(26-20-7-3-4-14-24-20)19-13-12-17-6-5-15-25-22(17)23(19)27/h3-15,21,27H,2H2,1H3,(H,24,26)/t21-/m0/s1
InChIKeyGKKHBDOWRWTQKO-NRFANRHFSA-N
MW355.44 g/mol
LogP5.10
Rot. Bonds5

About 7-[(S)-(4-ethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol

7-[(S)-(4-ethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol (PubChem CID 1222215) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 7-[(S)-(4-ethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(S)-(4-ethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
PubChem CID1222215
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name7-[(S)-(4-ethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESCCc1ccc([C@H](Nc2ccccn2)c2ccc3cccnc3c2O)cc1
InChIInChI=1S/C23H21N3O/c1-2-16-8-10-18(11-9-16)21(26-20-7-3-4-14-24-20)19-13-12-17-6-5-15-25-22(17)23(19)27/h3-15,21,27H,2H2,1H3,(H,24,26)/t21-/m0/s1
InChIKeyGKKHBDOWRWTQKO-NRFANRHFSA-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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Frequently Asked Questions

What is the IUPAC name of 7-[(S)-(4-ethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The IUPAC name of 7-[(S)-(4-ethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol (CID 1222215) is 7-[(S)-(4-ethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(S)-(4-ethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The canonical SMILES for 7-[(S)-(4-ethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol is CCc1ccc([C@H](Nc2ccccn2)c2ccc3cccnc3c2O)cc1.
What is the InChIKey of 7-[(S)-(4-ethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The InChIKey is GKKHBDOWRWTQKO-NRFANRHFSA-N. The full InChI is InChI=1S/C23H21N3O/c1-2-16-8-10-18(11-9-16)21(26-20-7-3-4-14-24-20)19-13-12-17-6-5-15-25-22(17)23(19)27/h3-15,21,27H,2H2,1H3,(H,24,26)/t21-/m0/s1.
What are the key properties of 7-[(S)-(4-ethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
7-[(S)-(4-ethylphenyl)-(pyridin-2-ylamino)methyl]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)-(4-ethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol is sourced from PubChem (CID 1222215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).