7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3,5-dichlorophenyl)methyl]quinolin-8-ol

C22H16Cl3N3O — CID 58542856

IUPAC7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3,5-dichlorophenyl)methyl]quinolin-8-ol
SMILESCc1cc(NC(c2cc(Cl)cc(Cl)c2)c2ccc3cccnc3c2O)ncc1Cl
InChIInChI=1S/C22H16Cl3N3O/c1-12-7-19(27-11-18(12)25)28-20(14-8-15(23)10-16(24)9-14)17-5-4-13-3-2-6-26-21(13)22(17)29/h2-11,20,29H,1H3,(H,27,28)
InChIKeyKYFOROOFSWMLIX-UHFFFAOYSA-N
MW444.75 g/mol
LogP6.81
Rot. Bonds4

About 7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3,5-dichlorophenyl)methyl]quinolin-8-ol

7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3,5-dichlorophenyl)methyl]quinolin-8-ol (PubChem CID 58542856) has the molecular formula C22H16Cl3N3O and a molecular weight of 444.75 g/mol. Its IUPAC name is 7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3,5-dichlorophenyl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3,5-dichlorophenyl)methyl]quinolin-8-ol
PubChem CID58542856
Molecular FormulaC22H16Cl3N3O
Molecular Weight444.75 g/mol
Exact Mass443.04
IUPAC Name7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3,5-dichlorophenyl)methyl]quinolin-8-ol
SMILESCc1cc(NC(c2cc(Cl)cc(Cl)c2)c2ccc3cccnc3c2O)ncc1Cl
InChIInChI=1S/C22H16Cl3N3O/c1-12-7-19(27-11-18(12)25)28-20(14-8-15(23)10-16(24)9-14)17-5-4-13-3-2-6-26-21(13)22(17)29/h2-11,20,29H,1H3,(H,27,28)
InChIKeyKYFOROOFSWMLIX-UHFFFAOYSA-N
XLogP6.81
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.75
LogP ≤ 56.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3,5-dichlorophenyl)methyl]quinolin-8-ol with MolForge

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Related Compounds

7-[(2-chloro-6-fluorophenyl)-[(5-chloro-4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 58543096
7-[(3,5-dichlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 67987463
7-[(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2895250
7-[(R)-[(4-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol
CID 703326
7-[(4-hydroxy-3,5-dimethoxyphenyl)-[(5-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 162668822
5-chloro-4-methylpyridin-2-amine;7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3-methoxy-4-methylphenyl)methyl]quinolin-8-ol;4-methoxy-3-methylbenzaldehyde;quinolin-8-ol
CID 157485107
7-[(4-chlorophenyl)-(methylamino)methyl]quinolin-8-ol
CID 146474872
7-[(R)-(3-chloro-4,5-diethoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 2221476
7-[(4-ethylphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 2906981
7-[(S)-[4-(dimethylamino)phenyl]-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 7012609
7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-(3,5-dichlorophenyl)ethyl]quinolin-8-ol
CID 58542757
7-[(2,4-dichlorophenyl)-[(6-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol
CID 58543190

Frequently Asked Questions

What is the IUPAC name of 7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3,5-dichlorophenyl)methyl]quinolin-8-ol?
The IUPAC name of 7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3,5-dichlorophenyl)methyl]quinolin-8-ol (CID 58542856) is 7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3,5-dichlorophenyl)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3,5-dichlorophenyl)methyl]quinolin-8-ol?
The canonical SMILES for 7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3,5-dichlorophenyl)methyl]quinolin-8-ol is Cc1cc(NC(c2cc(Cl)cc(Cl)c2)c2ccc3cccnc3c2O)ncc1Cl.
What is the InChIKey of 7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3,5-dichlorophenyl)methyl]quinolin-8-ol?
The InChIKey is KYFOROOFSWMLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl3N3O/c1-12-7-19(27-11-18(12)25)28-20(14-8-15(23)10-16(24)9-14)17-5-4-13-3-2-6-26-21(13)22(17)29/h2-11,20,29H,1H3,(H,27,28).
What are the key properties of 7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3,5-dichlorophenyl)methyl]quinolin-8-ol?
7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3,5-dichlorophenyl)methyl]quinolin-8-ol has a molecular weight of 444.75 g/mol, XLogP of 6.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3,5-dichlorophenyl)methyl]quinolin-8-ol is sourced from PubChem (CID 58542856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).