5-methyl-7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol

C22H19N3O — CID 147199836

IUPAC5-methyl-7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESCc1cc(C(Nc2ccccn2)c2ccccc2)c(O)c2ncccc12
InChIInChI=1S/C22H19N3O/c1-15-14-18(22(26)21-17(15)10-7-13-24-21)20(16-8-3-2-4-9-16)25-19-11-5-6-12-23-19/h2-14,20,26H,1H3,(H,23,25)
InChIKeyCDCASPKZDYTXQS-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.85
Rot. Bonds4

About 5-methyl-7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol

5-methyl-7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol (PubChem CID 147199836) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 5-methyl-7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-methyl-7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol
PubChem CID147199836
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name5-methyl-7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESCc1cc(C(Nc2ccccn2)c2ccccc2)c(O)c2ncccc12
InChIInChI=1S/C22H19N3O/c1-15-14-18(22(26)21-17(15)10-7-13-24-21)20(16-8-3-2-4-9-16)25-19-11-5-6-12-23-19/h2-14,20,26H,1H3,(H,23,25)
InChIKeyCDCASPKZDYTXQS-UHFFFAOYSA-N
XLogP4.85
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.85
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

5-chloro-7-[(2-methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 45037803
5-chloro-7-[(R)-(2,5-dimethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2221516
ethyl 4-[(5-chloro-8-hydroxyquinolin-7-yl)-(pyridin-2-ylamino)methyl]benzoate
CID 174319482
5-chloro-7-[(S)-furan-2-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 1301420
5-chloro-7-[(2-fluorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2961169
5-chloro-7-[(4-hydroxy-3-iodo-5-methoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2966011
7-[(S)-(3-bromo-4-hydroxy-5-methoxyphenyl)-(pyridin-2-ylamino)methyl]-5-chloroquinolin-8-ol
CID 2221429
7-[(3-bromo-4-hydroxy-5-methoxyphenyl)-(pyridin-2-ylamino)methyl]-5-chloroquinolin-8-ol
CID 2966018
5-chloro-7-[(4-prop-2-enoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2966049
2-[7-[(2,3-dichlorophenyl)-(pyridin-2-ylamino)methyl]-8-hydroxyquinolin-5-yl]acetic acid
CID 174321396
7-[amino(pyridin-3-yl)methyl]-5-methylquinolin-8-ol
CID 164865697
7-[(4-fluorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2895950

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The IUPAC name of 5-methyl-7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol (CID 147199836) is 5-methyl-7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol.
What is the SMILES notation for 5-methyl-7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The canonical SMILES for 5-methyl-7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol is Cc1cc(C(Nc2ccccn2)c2ccccc2)c(O)c2ncccc12.
What is the InChIKey of 5-methyl-7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The InChIKey is CDCASPKZDYTXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-15-14-18(22(26)21-17(15)10-7-13-24-21)20(16-8-3-2-4-9-16)25-19-11-5-6-12-23-19/h2-14,20,26H,1H3,(H,23,25).
What are the key properties of 5-methyl-7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol?
5-methyl-7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol has a molecular weight of 341.41 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol is sourced from PubChem (CID 147199836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).