7-[(pyridin-2-ylamino)-(2,4,6-trimethylphenyl)methyl]quinolin-8-ol

C24H23N3O — CID 5198770

IUPAC7-[(pyridin-2-ylamino)-(2,4,6-trimethylphenyl)methyl]quinolin-8-ol
SMILESCc1cc(C)c(C(Nc2ccccn2)c2ccc3cccnc3c2O)c(C)c1
InChIInChI=1S/C24H23N3O/c1-15-13-16(2)21(17(3)14-15)23(27-20-8-4-5-11-25-20)19-10-9-18-7-6-12-26-22(18)24(19)28/h4-14,23,28H,1-3H3,(H,25,27)
InChIKeyJEXROXHHDBQUAA-UHFFFAOYSA-N
MW369.47 g/mol
LogP5.46
Rot. Bonds4

About 7-[(pyridin-2-ylamino)-(2,4,6-trimethylphenyl)methyl]quinolin-8-ol

7-[(pyridin-2-ylamino)-(2,4,6-trimethylphenyl)methyl]quinolin-8-ol (PubChem CID 5198770) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is 7-[(pyridin-2-ylamino)-(2,4,6-trimethylphenyl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(pyridin-2-ylamino)-(2,4,6-trimethylphenyl)methyl]quinolin-8-ol
PubChem CID5198770
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name7-[(pyridin-2-ylamino)-(2,4,6-trimethylphenyl)methyl]quinolin-8-ol
SMILESCc1cc(C)c(C(Nc2ccccn2)c2ccc3cccnc3c2O)c(C)c1
InChIInChI=1S/C24H23N3O/c1-15-13-16(2)21(17(3)14-15)23(27-20-8-4-5-11-25-20)19-10-9-18-7-6-12-26-22(18)24(19)28/h4-14,23,28H,1-3H3,(H,25,27)
InChIKeyJEXROXHHDBQUAA-UHFFFAOYSA-N
XLogP5.46
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.47
LogP ≤ 55.46
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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Frequently Asked Questions

What is the IUPAC name of 7-[(pyridin-2-ylamino)-(2,4,6-trimethylphenyl)methyl]quinolin-8-ol?
The IUPAC name of 7-[(pyridin-2-ylamino)-(2,4,6-trimethylphenyl)methyl]quinolin-8-ol (CID 5198770) is 7-[(pyridin-2-ylamino)-(2,4,6-trimethylphenyl)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(pyridin-2-ylamino)-(2,4,6-trimethylphenyl)methyl]quinolin-8-ol?
The canonical SMILES for 7-[(pyridin-2-ylamino)-(2,4,6-trimethylphenyl)methyl]quinolin-8-ol is Cc1cc(C)c(C(Nc2ccccn2)c2ccc3cccnc3c2O)c(C)c1.
What is the InChIKey of 7-[(pyridin-2-ylamino)-(2,4,6-trimethylphenyl)methyl]quinolin-8-ol?
The InChIKey is JEXROXHHDBQUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c1-15-13-16(2)21(17(3)14-15)23(27-20-8-4-5-11-25-20)19-10-9-18-7-6-12-26-22(18)24(19)28/h4-14,23,28H,1-3H3,(H,25,27).
What are the key properties of 7-[(pyridin-2-ylamino)-(2,4,6-trimethylphenyl)methyl]quinolin-8-ol?
7-[(pyridin-2-ylamino)-(2,4,6-trimethylphenyl)methyl]quinolin-8-ol has a molecular weight of 369.47 g/mol, XLogP of 5.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(pyridin-2-ylamino)-(2,4,6-trimethylphenyl)methyl]quinolin-8-ol is sourced from PubChem (CID 5198770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).