7-[(4-propan-2-yloxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol

C24H23N3O2 — CID 19233207

IUPAC7-[(4-propan-2-yloxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol
SMILESCC(C)Oc1ccc(NC(c2cccnc2)c2ccc3cccnc3c2O)cc1
InChIInChI=1S/C24H23N3O2/c1-16(2)29-20-10-8-19(9-11-20)27-22(18-6-3-13-25-15-18)21-12-7-17-5-4-14-26-23(17)24(21)28/h3-16,22,27-28H,1-2H3
InChIKeyJYFMJYYTYAKAGC-UHFFFAOYSA-N
MW385.47 g/mol
LogP5.32
Rot. Bonds6

About 7-[(4-propan-2-yloxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol

7-[(4-propan-2-yloxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol (PubChem CID 19233207) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 7-[(4-propan-2-yloxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(4-propan-2-yloxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol
PubChem CID19233207
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name7-[(4-propan-2-yloxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol
SMILESCC(C)Oc1ccc(NC(c2cccnc2)c2ccc3cccnc3c2O)cc1
InChIInChI=1S/C24H23N3O2/c1-16(2)29-20-10-8-19(9-11-20)27-22(18-6-3-13-25-15-18)21-12-7-17-5-4-14-26-23(17)24(21)28/h3-16,22,27-28H,1-2H3
InChIKeyJYFMJYYTYAKAGC-UHFFFAOYSA-N
XLogP5.32
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 55.32
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

7-[(4-ethoxyanilino)-pyridin-4-ylmethyl]quinolin-8-ol
CID 16644263
7-[(2-hydroxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol
CID 4130526
7-[(S)-(4-propan-2-yloxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol
CID 7012634
2-methyl-7-[(4-propan-2-yloxyanilino)-pyridin-4-ylmethyl]quinolin-8-ol
CID 19233215
2-methyl-7-[(4-methylanilino)-pyridin-3-ylmethyl]quinolin-8-ol
CID 19232813
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-[(4-ethoxyanilino)-(4-fluorophenyl)methyl]quinolin-8-ol
CID 19232821
7-[(4-chloroanilino)-pyridin-3-ylmethyl]-2-methylquinolin-8-ol
CID 19232846
2-methyl-7-[(4-propan-2-yloxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol
CID 19233213
7-[(4-methoxyanilino)-pyridin-2-ylmethyl]quinolin-8-ol;methoxymethane
CID 19260796
7-[[(3,5-dichloro-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol
CID 56729926

Frequently Asked Questions

What is the IUPAC name of 7-[(4-propan-2-yloxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol?
The IUPAC name of 7-[(4-propan-2-yloxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol (CID 19233207) is 7-[(4-propan-2-yloxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol.
What is the SMILES notation for 7-[(4-propan-2-yloxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol?
The canonical SMILES for 7-[(4-propan-2-yloxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol is CC(C)Oc1ccc(NC(c2cccnc2)c2ccc3cccnc3c2O)cc1.
What is the InChIKey of 7-[(4-propan-2-yloxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol?
The InChIKey is JYFMJYYTYAKAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-16(2)29-20-10-8-19(9-11-20)27-22(18-6-3-13-25-15-18)21-12-7-17-5-4-14-26-23(17)24(21)28/h3-16,22,27-28H,1-2H3.
What are the key properties of 7-[(4-propan-2-yloxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol?
7-[(4-propan-2-yloxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol has a molecular weight of 385.47 g/mol, XLogP of 5.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-propan-2-yloxyanilino)-pyridin-3-ylmethyl]quinolin-8-ol is sourced from PubChem (CID 19233207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).