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

C23H21N3O — CID 1180433

IUPAC7-[(S)-(2,4-dimethylanilino)-pyridin-2-ylmethyl]quinolin-8-ol
SMILESCc1ccc(N[C@H](c2ccccn2)c2ccc3cccnc3c2O)c(C)c1
InChIInChI=1S/C23H21N3O/c1-15-8-11-19(16(2)14-15)26-22(20-7-3-4-12-24-20)18-10-9-17-6-5-13-25-21(17)23(18)27/h3-14,22,26-27H,1-2H3/t22-/m0/s1
InChIKeyHNOOYYHKXONEOD-QFIPXVFZSA-N
MW355.44 g/mol
LogP5.15
Rot. Bonds4

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

7-[(S)-(2,4-dimethylanilino)-pyridin-2-ylmethyl]quinolin-8-ol (PubChem CID 1180433) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 7-[(S)-(2,4-dimethylanilino)-pyridin-2-ylmethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(S)-(2,4-dimethylanilino)-pyridin-2-ylmethyl]quinolin-8-ol
PubChem CID1180433
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name7-[(S)-(2,4-dimethylanilino)-pyridin-2-ylmethyl]quinolin-8-ol
SMILESCc1ccc(N[C@H](c2ccccn2)c2ccc3cccnc3c2O)c(C)c1
InChIInChI=1S/C23H21N3O/c1-15-8-11-19(16(2)14-15)26-22(20-7-3-4-12-24-20)18-10-9-17-6-5-13-25-21(17)23(18)27/h3-14,22,26-27H,1-2H3/t22-/m0/s1
InChIKeyHNOOYYHKXONEOD-QFIPXVFZSA-N
XLogP5.15
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.15
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-[(R)-(3-methylanilino)-pyridin-2-ylmethyl]quinolin-8-ol
CID 35026325
7-[(S)-(2-ethylanilino)-pyridin-2-ylmethyl]quinolin-8-ol
CID 7453622
7-[(4-methoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol;methoxymethane
CID 19260796
7-[(S)-(4-ethoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol
CID 1185890
7-[(S)-(2-methoxy-5-methylanilino)-pyridin-4-ylmethyl]quinolin-8-ol
CID 35026479
7-[(4-fluorophenyl)-(4-methyl-2-nitroanilino)methyl]quinolin-8-ol
CID 19233197
7-[[(4-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]quinolin-1-ium-8-ol
CID 4201886
7-[(2-hydroxy-5-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 23879787
7-[(R)-(2-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 7500417
2-methyl-7-[[(6-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]quinolin-8-ol;2-methyl-7-[[(6-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol;7-[[(6-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]quinolin-8-ol;7-[[(6-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol;7-[pyridin-2-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol;7-[pyridin-3-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 157167249
7-[(3-methylanilino)-thiophen-2-ylmethyl]quinolin-8-ol
CID 19232874
7-[(R)-[(4-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol
CID 703326

Frequently Asked Questions

What is the IUPAC name of 7-[(S)-(2,4-dimethylanilino)-pyridin-2-ylmethyl]quinolin-8-ol?
The IUPAC name of 7-[(S)-(2,4-dimethylanilino)-pyridin-2-ylmethyl]quinolin-8-ol (CID 1180433) is 7-[(S)-(2,4-dimethylanilino)-pyridin-2-ylmethyl]quinolin-8-ol.
What is the SMILES notation for 7-[(S)-(2,4-dimethylanilino)-pyridin-2-ylmethyl]quinolin-8-ol?
The canonical SMILES for 7-[(S)-(2,4-dimethylanilino)-pyridin-2-ylmethyl]quinolin-8-ol is Cc1ccc(N[C@H](c2ccccn2)c2ccc3cccnc3c2O)c(C)c1.
What is the InChIKey of 7-[(S)-(2,4-dimethylanilino)-pyridin-2-ylmethyl]quinolin-8-ol?
The InChIKey is HNOOYYHKXONEOD-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H21N3O/c1-15-8-11-19(16(2)14-15)26-22(20-7-3-4-12-24-20)18-10-9-17-6-5-13-25-21(17)23(18)27/h3-14,22,26-27H,1-2H3/t22-/m0/s1.
What are the key properties of 7-[(S)-(2,4-dimethylanilino)-pyridin-2-ylmethyl]quinolin-8-ol?
7-[(S)-(2,4-dimethylanilino)-pyridin-2-ylmethyl]quinolin-8-ol has a molecular weight of 355.44 g/mol, XLogP of 5.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(S)-(2,4-dimethylanilino)-pyridin-2-ylmethyl]quinolin-8-ol is sourced from PubChem (CID 1180433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).