7-[(3,5-dichloroanilino)-pyridin-3-ylmethyl]-2-methylquinolin-8-ol

C22H17Cl2N3O — CID 19233228

IUPAC7-[(3,5-dichloroanilino)-pyridin-3-ylmethyl]-2-methylquinolin-8-ol
SMILESCc1ccc2ccc(C(Nc3cc(Cl)cc(Cl)c3)c3cccnc3)c(O)c2n1
InChIInChI=1S/C22H17Cl2N3O/c1-13-4-5-14-6-7-19(22(28)21(14)26-13)20(15-3-2-8-25-12-15)27-18-10-16(23)9-17(24)11-18/h2-12,20,27-28H,1H3
InChIKeyLBNFXNNJMUWXBS-UHFFFAOYSA-N
MW410.30 g/mol
LogP6.15
Rot. Bonds4

About 7-[(3,5-dichloroanilino)-pyridin-3-ylmethyl]-2-methylquinolin-8-ol

7-[(3,5-dichloroanilino)-pyridin-3-ylmethyl]-2-methylquinolin-8-ol (PubChem CID 19233228) has the molecular formula C22H17Cl2N3O and a molecular weight of 410.30 g/mol. Its IUPAC name is 7-[(3,5-dichloroanilino)-pyridin-3-ylmethyl]-2-methylquinolin-8-ol.

Molecular Properties

Compound Name7-[(3,5-dichloroanilino)-pyridin-3-ylmethyl]-2-methylquinolin-8-ol
PubChem CID19233228
Molecular FormulaC22H17Cl2N3O
Molecular Weight410.30 g/mol
Exact Mass409.07
IUPAC Name7-[(3,5-dichloroanilino)-pyridin-3-ylmethyl]-2-methylquinolin-8-ol
SMILESCc1ccc2ccc(C(Nc3cc(Cl)cc(Cl)c3)c3cccnc3)c(O)c2n1
InChIInChI=1S/C22H17Cl2N3O/c1-13-4-5-14-6-7-19(22(28)21(14)26-13)20(15-3-2-8-25-12-15)27-18-10-16(23)9-17(24)11-18/h2-12,20,27-28H,1H3
InChIKeyLBNFXNNJMUWXBS-UHFFFAOYSA-N
XLogP6.15
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.30
LogP ≤ 56.15
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
2-methyl-7-[(4-methylanilino)-pyridin-3-ylmethyl]quinolin-8-ol
CID 19232813
2-methyl-7-[pyridin-3-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol
CID 3386822
7-[[(3,5-dichloro-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol
CID 56729926
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-[(R)-[(4-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol
CID 703326
5-chloro-7-[(4-fluorophenyl)-(pyridin-3-ylamino)methyl]-2-methylquinolin-8-ol
CID 139425889
2-methyl-7-[pyridin-4-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol
CID 19232901
7-[(4-propan-2-yloxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol
CID 19233207
7-[[(3,5-dichloro-2-pyridinyl)amino]-(3-fluorophenyl)methyl]-2-methylquinolin-8-ol
CID 50740058
7-[anilino-(4-fluorophenyl)methyl]-2-methylquinolin-8-ol
CID 19233140
7-[(3,4-dimethoxyanilino)-pyridin-4-ylmethyl]-2-methylquinolin-8-ol
CID 19233281

Frequently Asked Questions

What is the IUPAC name of 7-[(3,5-dichloroanilino)-pyridin-3-ylmethyl]-2-methylquinolin-8-ol?
The IUPAC name of 7-[(3,5-dichloroanilino)-pyridin-3-ylmethyl]-2-methylquinolin-8-ol (CID 19233228) is 7-[(3,5-dichloroanilino)-pyridin-3-ylmethyl]-2-methylquinolin-8-ol.
What is the SMILES notation for 7-[(3,5-dichloroanilino)-pyridin-3-ylmethyl]-2-methylquinolin-8-ol?
The canonical SMILES for 7-[(3,5-dichloroanilino)-pyridin-3-ylmethyl]-2-methylquinolin-8-ol is Cc1ccc2ccc(C(Nc3cc(Cl)cc(Cl)c3)c3cccnc3)c(O)c2n1.
What is the InChIKey of 7-[(3,5-dichloroanilino)-pyridin-3-ylmethyl]-2-methylquinolin-8-ol?
The InChIKey is LBNFXNNJMUWXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3O/c1-13-4-5-14-6-7-19(22(28)21(14)26-13)20(15-3-2-8-25-12-15)27-18-10-16(23)9-17(24)11-18/h2-12,20,27-28H,1H3.
What are the key properties of 7-[(3,5-dichloroanilino)-pyridin-3-ylmethyl]-2-methylquinolin-8-ol?
7-[(3,5-dichloroanilino)-pyridin-3-ylmethyl]-2-methylquinolin-8-ol has a molecular weight of 410.30 g/mol, XLogP of 6.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3,5-dichloroanilino)-pyridin-3-ylmethyl]-2-methylquinolin-8-ol is sourced from PubChem (CID 19233228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).