7-[[(3,5-dichloro-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol

C20H14Cl2N4O — CID 56729926

IUPAC7-[[(3,5-dichloro-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol
SMILESOc1c(C(Nc2ncc(Cl)cc2Cl)c2cccnc2)ccc2cccnc12
InChIInChI=1S/C20H14Cl2N4O/c21-14-9-16(22)20(25-11-14)26-17(13-4-1-7-23-10-13)15-6-5-12-3-2-8-24-18(12)19(15)27/h1-11,17,27H,(H,25,26)
InChIKeyRUGNOTZFDCBPNY-UHFFFAOYSA-N
MW397.27 g/mol
LogP5.24
Rot. Bonds4

About 7-[[(3,5-dichloro-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol

7-[[(3,5-dichloro-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol (PubChem CID 56729926) has the molecular formula C20H14Cl2N4O and a molecular weight of 397.27 g/mol. Its IUPAC name is 7-[[(3,5-dichloro-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[[(3,5-dichloro-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol
PubChem CID56729926
Molecular FormulaC20H14Cl2N4O
Molecular Weight397.27 g/mol
Exact Mass396.05
IUPAC Name7-[[(3,5-dichloro-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol
SMILESOc1c(C(Nc2ncc(Cl)cc2Cl)c2cccnc2)ccc2cccnc12
InChIInChI=1S/C20H14Cl2N4O/c21-14-9-16(22)20(25-11-14)26-17(13-4-1-7-23-10-13)15-6-5-12-3-2-8-24-18(12)19(15)27/h1-11,17,27H,(H,25,26)
InChIKeyRUGNOTZFDCBPNY-UHFFFAOYSA-N
XLogP5.24
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.27
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-[[(3,5-dichloro-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol with MolForge

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Related Compounds

7-[(2-hydroxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol
CID 4130526
7-[[2-chloro-5-(trifluoromethyl)anilino]-pyridin-3-ylmethyl]quinolin-8-ol
CID 19232932
7-[(R)-[(4-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol
CID 703326
7-[(R)-pyridin-3-yl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol
CID 1285693
7-[pyridin-4-yl-(2,4,5-trichloroanilino)methyl]quinolin-8-ol
CID 19233022
7-[[(3,5-dichloro-2-pyridinyl)amino]-(3-fluorophenyl)methyl]-2-methylquinolin-8-ol
CID 50740058
7-[(4-chlorophenyl)-(methylamino)methyl]quinolin-8-ol
CID 146474872
7-[(4-propan-2-yloxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol
CID 19233207
7-[(3,5-dichloroanilino)-pyridin-3-ylmethyl]-2-methylquinolin-8-ol
CID 19233228
7-[(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2895250
7-[(2,4-dichlorophenyl)-(methylamino)methyl]quinolin-8-ol
CID 146475110
7-[(3,5-dichlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 67987463

Frequently Asked Questions

What is the IUPAC name of 7-[[(3,5-dichloro-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol?
The IUPAC name of 7-[[(3,5-dichloro-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol (CID 56729926) is 7-[[(3,5-dichloro-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol.
What is the SMILES notation for 7-[[(3,5-dichloro-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol?
The canonical SMILES for 7-[[(3,5-dichloro-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol is Oc1c(C(Nc2ncc(Cl)cc2Cl)c2cccnc2)ccc2cccnc12.
What is the InChIKey of 7-[[(3,5-dichloro-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol?
The InChIKey is RUGNOTZFDCBPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N4O/c21-14-9-16(22)20(25-11-14)26-17(13-4-1-7-23-10-13)15-6-5-12-3-2-8-24-18(12)19(15)27/h1-11,17,27H,(H,25,26).
What are the key properties of 7-[[(3,5-dichloro-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol?
7-[[(3,5-dichloro-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol has a molecular weight of 397.27 g/mol, XLogP of 5.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(3,5-dichloro-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol is sourced from PubChem (CID 56729926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).