2-methyl-7-[(4-propan-2-yloxyanilino)-pyridin-4-ylmethyl]quinolin-8-ol

C25H25N3O2 — CID 19233215

IUPAC2-methyl-7-[(4-propan-2-yloxyanilino)-pyridin-4-ylmethyl]quinolin-8-ol
SMILESCc1ccc2ccc(C(Nc3ccc(OC(C)C)cc3)c3ccncc3)c(O)c2n1
InChIInChI=1S/C25H25N3O2/c1-16(2)30-21-9-7-20(8-10-21)28-23(19-12-14-26-15-13-19)22-11-6-18-5-4-17(3)27-24(18)25(22)29/h4-16,23,28-29H,1-3H3
InChIKeyVWCKIFPTWVFRIK-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.63
Rot. Bonds6

About 2-methyl-7-[(4-propan-2-yloxyanilino)-pyridin-4-ylmethyl]quinolin-8-ol

2-methyl-7-[(4-propan-2-yloxyanilino)-pyridin-4-ylmethyl]quinolin-8-ol (PubChem CID 19233215) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-methyl-7-[(4-propan-2-yloxyanilino)-pyridin-4-ylmethyl]quinolin-8-ol.

Molecular Properties

Compound Name2-methyl-7-[(4-propan-2-yloxyanilino)-pyridin-4-ylmethyl]quinolin-8-ol
PubChem CID19233215
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name2-methyl-7-[(4-propan-2-yloxyanilino)-pyridin-4-ylmethyl]quinolin-8-ol
SMILESCc1ccc2ccc(C(Nc3ccc(OC(C)C)cc3)c3ccncc3)c(O)c2n1
InChIInChI=1S/C25H25N3O2/c1-16(2)30-21-9-7-20(8-10-21)28-23(19-12-14-26-15-13-19)22-11-6-18-5-4-17(3)27-24(18)25(22)29/h4-16,23,28-29H,1-3H3
InChIKeyVWCKIFPTWVFRIK-UHFFFAOYSA-N
XLogP5.63
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 4-[[(8-hydroxy-2-methylquinolin-7-yl)-pyridin-4-ylmethyl]amino]benzoate
CID 19233043
2-methyl-7-[(4-propan-2-yloxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol
CID 19233213
7-[(3,4-dimethoxyanilino)-pyridin-4-ylmethyl]-2-methylquinolin-8-ol
CID 19233281
7-[(4-propan-2-yloxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol
CID 19233207
propan-2-yl 4-[[(8-hydroxy-2-methylquinolin-7-yl)-phenylmethyl]amino]benzoate
CID 19233040
2-methyl-7-[pyridin-4-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol
CID 19232901
7-[(4-chloroanilino)-pyridin-3-ylmethyl]-2-methylquinolin-8-ol
CID 19232846
7-[anilino-(4-fluorophenyl)methyl]-2-methylquinolin-8-ol
CID 19233140
7-[(S)-(4-propan-2-yloxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol
CID 7012634
7-[(S)-(4-hydroxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
CID 2054369
7-[(R)-(4-hydroxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
CID 1347792
7-[(4-ethoxyanilino)-(4-fluorophenyl)methyl]quinolin-8-ol
CID 19232821

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[(4-propan-2-yloxyanilino)-pyridin-4-ylmethyl]quinolin-8-ol?
The IUPAC name of 2-methyl-7-[(4-propan-2-yloxyanilino)-pyridin-4-ylmethyl]quinolin-8-ol (CID 19233215) is 2-methyl-7-[(4-propan-2-yloxyanilino)-pyridin-4-ylmethyl]quinolin-8-ol.
What is the SMILES notation for 2-methyl-7-[(4-propan-2-yloxyanilino)-pyridin-4-ylmethyl]quinolin-8-ol?
The canonical SMILES for 2-methyl-7-[(4-propan-2-yloxyanilino)-pyridin-4-ylmethyl]quinolin-8-ol is Cc1ccc2ccc(C(Nc3ccc(OC(C)C)cc3)c3ccncc3)c(O)c2n1.
What is the InChIKey of 2-methyl-7-[(4-propan-2-yloxyanilino)-pyridin-4-ylmethyl]quinolin-8-ol?
The InChIKey is VWCKIFPTWVFRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-16(2)30-21-9-7-20(8-10-21)28-23(19-12-14-26-15-13-19)22-11-6-18-5-4-17(3)27-24(18)25(22)29/h4-16,23,28-29H,1-3H3.
What are the key properties of 2-methyl-7-[(4-propan-2-yloxyanilino)-pyridin-4-ylmethyl]quinolin-8-ol?
2-methyl-7-[(4-propan-2-yloxyanilino)-pyridin-4-ylmethyl]quinolin-8-ol has a molecular weight of 399.49 g/mol, XLogP of 5.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[(4-propan-2-yloxyanilino)-pyridin-4-ylmethyl]quinolin-8-ol is sourced from PubChem (CID 19233215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).