7-[(4-chloroanilino)-pyridin-3-ylmethyl]-2-methylquinolin-8-ol

C22H18ClN3O — CID 19232846

IUPAC7-[(4-chloroanilino)-pyridin-3-ylmethyl]-2-methylquinolin-8-ol
SMILESCc1ccc2ccc(C(Nc3ccc(Cl)cc3)c3cccnc3)c(O)c2n1
InChIInChI=1S/C22H18ClN3O/c1-14-4-5-15-6-11-19(22(27)21(15)25-14)20(16-3-2-12-24-13-16)26-18-9-7-17(23)8-10-18/h2-13,20,26-27H,1H3
InChIKeyDSRWLSHPAAZVAC-UHFFFAOYSA-N
MW375.86 g/mol
LogP5.50
Rot. Bonds4

About 7-[(4-chloroanilino)-pyridin-3-ylmethyl]-2-methylquinolin-8-ol

7-[(4-chloroanilino)-pyridin-3-ylmethyl]-2-methylquinolin-8-ol (PubChem CID 19232846) has the molecular formula C22H18ClN3O and a molecular weight of 375.86 g/mol. Its IUPAC name is 7-[(4-chloroanilino)-pyridin-3-ylmethyl]-2-methylquinolin-8-ol.

Molecular Properties

Compound Name7-[(4-chloroanilino)-pyridin-3-ylmethyl]-2-methylquinolin-8-ol
PubChem CID19232846
Molecular FormulaC22H18ClN3O
Molecular Weight375.86 g/mol
Exact Mass375.11
IUPAC Name7-[(4-chloroanilino)-pyridin-3-ylmethyl]-2-methylquinolin-8-ol
SMILESCc1ccc2ccc(C(Nc3ccc(Cl)cc3)c3cccnc3)c(O)c2n1
InChIInChI=1S/C22H18ClN3O/c1-14-4-5-15-6-11-19(22(27)21(15)25-14)20(16-3-2-12-24-13-16)26-18-9-7-17(23)8-10-18/h2-13,20,26-27H,1H3
InChIKeyDSRWLSHPAAZVAC-UHFFFAOYSA-N
XLogP5.50
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.86
LogP ≤ 55.50
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

2-methyl-7-[(4-methylanilino)-pyridin-3-ylmethyl]quinolin-8-ol
CID 19232813
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-[(4-chloroanilino)-(4-fluorophenyl)methyl]quinolin-8-ol
CID 19232843
7-[(2,4-dichlorophenyl)-[(6-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol
CID 58543190
7-[[(3,5-dichloro-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol
CID 56729926
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

Frequently Asked Questions

What is the IUPAC name of 7-[(4-chloroanilino)-pyridin-3-ylmethyl]-2-methylquinolin-8-ol?
The IUPAC name of 7-[(4-chloroanilino)-pyridin-3-ylmethyl]-2-methylquinolin-8-ol (CID 19232846) is 7-[(4-chloroanilino)-pyridin-3-ylmethyl]-2-methylquinolin-8-ol.
What is the SMILES notation for 7-[(4-chloroanilino)-pyridin-3-ylmethyl]-2-methylquinolin-8-ol?
The canonical SMILES for 7-[(4-chloroanilino)-pyridin-3-ylmethyl]-2-methylquinolin-8-ol is Cc1ccc2ccc(C(Nc3ccc(Cl)cc3)c3cccnc3)c(O)c2n1.
What is the InChIKey of 7-[(4-chloroanilino)-pyridin-3-ylmethyl]-2-methylquinolin-8-ol?
The InChIKey is DSRWLSHPAAZVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O/c1-14-4-5-15-6-11-19(22(27)21(15)25-14)20(16-3-2-12-24-13-16)26-18-9-7-17(23)8-10-18/h2-13,20,26-27H,1H3.
What are the key properties of 7-[(4-chloroanilino)-pyridin-3-ylmethyl]-2-methylquinolin-8-ol?
7-[(4-chloroanilino)-pyridin-3-ylmethyl]-2-methylquinolin-8-ol has a molecular weight of 375.86 g/mol, XLogP of 5.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-chloroanilino)-pyridin-3-ylmethyl]-2-methylquinolin-8-ol is sourced from PubChem (CID 19232846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).