2-methyl-7-[(4-methylanilino)-pyridin-3-ylmethyl]quinolin-8-ol

C23H21N3O — CID 19232813

IUPAC2-methyl-7-[(4-methylanilino)-pyridin-3-ylmethyl]quinolin-8-ol
SMILESCc1ccc(NC(c2cccnc2)c2ccc3ccc(C)nc3c2O)cc1
InChIInChI=1S/C23H21N3O/c1-15-5-10-19(11-6-15)26-21(18-4-3-13-24-14-18)20-12-9-17-8-7-16(2)25-22(17)23(20)27/h3-14,21,26-27H,1-2H3
InChIKeyYJPJMLBQPDMPNF-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.15
Rot. Bonds4

About 2-methyl-7-[(4-methylanilino)-pyridin-3-ylmethyl]quinolin-8-ol

2-methyl-7-[(4-methylanilino)-pyridin-3-ylmethyl]quinolin-8-ol (PubChem CID 19232813) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-methyl-7-[(4-methylanilino)-pyridin-3-ylmethyl]quinolin-8-ol.

Molecular Properties

Compound Name2-methyl-7-[(4-methylanilino)-pyridin-3-ylmethyl]quinolin-8-ol
PubChem CID19232813
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name2-methyl-7-[(4-methylanilino)-pyridin-3-ylmethyl]quinolin-8-ol
SMILESCc1ccc(NC(c2cccnc2)c2ccc3ccc(C)nc3c2O)cc1
InChIInChI=1S/C23H21N3O/c1-15-5-10-19(11-6-15)26-21(18-4-3-13-24-14-18)20-12-9-17-8-7-16(2)25-22(17)23(20)27/h3-14,21,26-27H,1-2H3
InChIKeyYJPJMLBQPDMPNF-UHFFFAOYSA-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-[(4-chloroanilino)-pyridin-3-ylmethyl]-2-methylquinolin-8-ol
CID 19232846
7-[(3,5-dichloroanilino)-pyridin-3-ylmethyl]-2-methylquinolin-8-ol
CID 19233228
2-methyl-7-[pyridin-3-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol
CID 3386822
7-[(4-propan-2-yloxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol
CID 19233207
2-methyl-7-[(4-propan-2-yloxyanilino)-pyridin-4-ylmethyl]quinolin-8-ol
CID 19233215
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-[anilino-(4-fluorophenyl)methyl]-2-methylquinolin-8-ol
CID 19233140
7-[(R)-[(4-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol
CID 703326
propan-2-yl 4-[[(8-hydroxy-2-methylquinolin-7-yl)-phenylmethyl]amino]benzoate
CID 19233040
7-[(3,4-dimethoxyanilino)-pyridin-4-ylmethyl]-2-methylquinolin-8-ol
CID 19233281
propan-2-yl 4-[[(8-hydroxy-2-methylquinolin-7-yl)-pyridin-4-ylmethyl]amino]benzoate
CID 19233043
7-[(2-hydroxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol
CID 4130526

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[(4-methylanilino)-pyridin-3-ylmethyl]quinolin-8-ol?
The IUPAC name of 2-methyl-7-[(4-methylanilino)-pyridin-3-ylmethyl]quinolin-8-ol (CID 19232813) is 2-methyl-7-[(4-methylanilino)-pyridin-3-ylmethyl]quinolin-8-ol.
What is the SMILES notation for 2-methyl-7-[(4-methylanilino)-pyridin-3-ylmethyl]quinolin-8-ol?
The canonical SMILES for 2-methyl-7-[(4-methylanilino)-pyridin-3-ylmethyl]quinolin-8-ol is Cc1ccc(NC(c2cccnc2)c2ccc3ccc(C)nc3c2O)cc1.
What is the InChIKey of 2-methyl-7-[(4-methylanilino)-pyridin-3-ylmethyl]quinolin-8-ol?
The InChIKey is YJPJMLBQPDMPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-15-5-10-19(11-6-15)26-21(18-4-3-13-24-14-18)20-12-9-17-8-7-16(2)25-22(17)23(20)27/h3-14,21,26-27H,1-2H3.
What are the key properties of 2-methyl-7-[(4-methylanilino)-pyridin-3-ylmethyl]quinolin-8-ol?
2-methyl-7-[(4-methylanilino)-pyridin-3-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 2-methyl-7-[(4-methylanilino)-pyridin-3-ylmethyl]quinolin-8-ol is sourced from PubChem (CID 19232813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).