7-[(S)-(4-ethoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol

C23H21N3O2 — CID 1185890

IUPAC7-[(S)-(4-ethoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol
SMILESCCOc1ccc(N[C@H](c2ccccn2)c2ccc3cccnc3c2O)cc1
InChIInChI=1S/C23H21N3O2/c1-2-28-18-11-9-17(10-12-18)26-22(20-7-3-4-14-24-20)19-13-8-16-6-5-15-25-21(16)23(19)27/h3-15,22,26-27H,2H2,1H3/t22-/m0/s1
InChIKeyYKIYGNLLHIJAIA-QFIPXVFZSA-N
MW371.44 g/mol
LogP4.94
Rot. Bonds6

About 7-[(S)-(4-ethoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol

7-[(S)-(4-ethoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol (PubChem CID 1185890) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 7-[(S)-(4-ethoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(S)-(4-ethoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol
PubChem CID1185890
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name7-[(S)-(4-ethoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol
SMILESCCOc1ccc(N[C@H](c2ccccn2)c2ccc3cccnc3c2O)cc1
InChIInChI=1S/C23H21N3O2/c1-2-28-18-11-9-17(10-12-18)26-22(20-7-3-4-14-24-20)19-13-8-16-6-5-15-25-21(16)23(19)27/h3-15,22,26-27H,2H2,1H3/t22-/m0/s1
InChIKeyYKIYGNLLHIJAIA-QFIPXVFZSA-N
XLogP4.94
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(S)-(4-ethoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol?
The IUPAC name of 7-[(S)-(4-ethoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol (CID 1185890) is 7-[(S)-(4-ethoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol.
What is the SMILES notation for 7-[(S)-(4-ethoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol?
The canonical SMILES for 7-[(S)-(4-ethoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol is CCOc1ccc(N[C@H](c2ccccn2)c2ccc3cccnc3c2O)cc1.
What is the InChIKey of 7-[(S)-(4-ethoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol?
The InChIKey is YKIYGNLLHIJAIA-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-2-28-18-11-9-17(10-12-18)26-22(20-7-3-4-14-24-20)19-13-8-16-6-5-15-25-21(16)23(19)27/h3-15,22,26-27H,2H2,1H3/t22-/m0/s1.
What are the key properties of 7-[(S)-(4-ethoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol?
7-[(S)-(4-ethoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol has a molecular weight of 371.44 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(S)-(4-ethoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol is sourced from PubChem (CID 1185890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).