7-[(2,4-dichlorophenyl)-[(6-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol

C22H17Cl2N3O — CID 58543190

IUPAC7-[(2,4-dichlorophenyl)-[(6-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol
SMILESCc1ccc(NC(c2ccc(Cl)cc2Cl)c2ccc3cccnc3c2O)cn1
InChIInChI=1S/C22H17Cl2N3O/c1-13-4-7-16(12-26-13)27-21(17-9-6-15(23)11-19(17)24)18-8-5-14-3-2-10-25-20(14)22(18)28/h2-12,21,27-28H,1H3
InChIKeyYVBATKDQYAPSMR-UHFFFAOYSA-N
MW410.30 g/mol
LogP6.15
Rot. Bonds4

About 7-[(2,4-dichlorophenyl)-[(6-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol

7-[(2,4-dichlorophenyl)-[(6-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol (PubChem CID 58543190) has the molecular formula C22H17Cl2N3O and a molecular weight of 410.30 g/mol. Its IUPAC name is 7-[(2,4-dichlorophenyl)-[(6-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(2,4-dichlorophenyl)-[(6-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol
PubChem CID58543190
Molecular FormulaC22H17Cl2N3O
Molecular Weight410.30 g/mol
Exact Mass409.07
IUPAC Name7-[(2,4-dichlorophenyl)-[(6-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol
SMILESCc1ccc(NC(c2ccc(Cl)cc2Cl)c2ccc3cccnc3c2O)cn1
InChIInChI=1S/C22H17Cl2N3O/c1-13-4-7-16(12-26-13)27-21(17-9-6-15(23)11-19(17)24)18-8-5-14-3-2-10-25-20(14)22(18)28/h2-12,21,27-28H,1H3
InChIKeyYVBATKDQYAPSMR-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-[(2,4-dichlorophenyl)-(methylamino)methyl]quinolin-8-ol
CID 146475110
7-[(2-chloro-4-fluorophenyl)-(4-chloro-3-methylanilino)methyl]quinolin-8-ol
CID 67987497
N-[(R)-(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide
CID 1129397
7-[(4-chloroanilino)-(4-fluorophenyl)methyl]quinolin-8-ol
CID 19232843
7-[(2,5-dichlorophenyl)-[(5-fluoro-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 58543055
7-[(4-chlorophenyl)-(methylamino)methyl]quinolin-8-ol
CID 146474872
7-[(2,4-dichloroanilino)-(furan-2-yl)methyl]quinolin-8-ol
CID 4073581
7-[(4-chloroanilino)-pyridin-3-ylmethyl]-2-methylquinolin-8-ol
CID 19232846
7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3,5-dichlorophenyl)methyl]quinolin-8-ol
CID 58542856
7-[1-(2,4-dichlorophenyl)-2-(3,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol
CID 58542724
N-[(S)-(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 711204
7-[(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2895250

Frequently Asked Questions

What is the IUPAC name of 7-[(2,4-dichlorophenyl)-[(6-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol?
The IUPAC name of 7-[(2,4-dichlorophenyl)-[(6-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol (CID 58543190) is 7-[(2,4-dichlorophenyl)-[(6-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(2,4-dichlorophenyl)-[(6-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol?
The canonical SMILES for 7-[(2,4-dichlorophenyl)-[(6-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol is Cc1ccc(NC(c2ccc(Cl)cc2Cl)c2ccc3cccnc3c2O)cn1.
What is the InChIKey of 7-[(2,4-dichlorophenyl)-[(6-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol?
The InChIKey is YVBATKDQYAPSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3O/c1-13-4-7-16(12-26-13)27-21(17-9-6-15(23)11-19(17)24)18-8-5-14-3-2-10-25-20(14)22(18)28/h2-12,21,27-28H,1H3.
What are the key properties of 7-[(2,4-dichlorophenyl)-[(6-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol?
7-[(2,4-dichlorophenyl)-[(6-methyl-3-pyridinyl)amino]methyl]quinolin-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-[(2,4-dichlorophenyl)-[(6-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol is sourced from PubChem (CID 58543190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).