4-methyl-3-[(6-pyridin-3-ylquinolin-4-yl)amino]phenol

C21H17N3O — CID 25023830

IUPAC4-methyl-3-[(6-pyridin-3-ylquinolin-4-yl)amino]phenol
SMILESCc1ccc(O)cc1Nc1ccnc2ccc(-c3cccnc3)cc12
InChIInChI=1S/C21H17N3O/c1-14-4-6-17(25)12-21(14)24-20-8-10-23-19-7-5-15(11-18(19)20)16-3-2-9-22-13-16/h2-13,25H,1H3,(H,23,24)
InChIKeyBYVUAJDYENVNAV-UHFFFAOYSA-N
MW327.39 g/mol
LogP5.05
Rot. Bonds3

About 4-methyl-3-[(6-pyridin-3-ylquinolin-4-yl)amino]phenol

4-methyl-3-[(6-pyridin-3-ylquinolin-4-yl)amino]phenol (PubChem CID 25023830) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 4-methyl-3-[(6-pyridin-3-ylquinolin-4-yl)amino]phenol.

Molecular Properties

Compound Name4-methyl-3-[(6-pyridin-3-ylquinolin-4-yl)amino]phenol
PubChem CID25023830
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name4-methyl-3-[(6-pyridin-3-ylquinolin-4-yl)amino]phenol
SMILESCc1ccc(O)cc1Nc1ccnc2ccc(-c3cccnc3)cc12
InChIInChI=1S/C21H17N3O/c1-14-4-6-17(25)12-21(14)24-20-8-10-23-19-7-5-15(11-18(19)20)16-3-2-9-22-13-16/h2-13,25H,1H3,(H,23,24)
InChIKeyBYVUAJDYENVNAV-UHFFFAOYSA-N
XLogP5.05
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.39
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(6-pyridin-3-ylquinolin-4-yl)amino]phenol?
The IUPAC name of 4-methyl-3-[(6-pyridin-3-ylquinolin-4-yl)amino]phenol (CID 25023830) is 4-methyl-3-[(6-pyridin-3-ylquinolin-4-yl)amino]phenol.
What is the SMILES notation for 4-methyl-3-[(6-pyridin-3-ylquinolin-4-yl)amino]phenol?
The canonical SMILES for 4-methyl-3-[(6-pyridin-3-ylquinolin-4-yl)amino]phenol is Cc1ccc(O)cc1Nc1ccnc2ccc(-c3cccnc3)cc12.
What is the InChIKey of 4-methyl-3-[(6-pyridin-3-ylquinolin-4-yl)amino]phenol?
The InChIKey is BYVUAJDYENVNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c1-14-4-6-17(25)12-21(14)24-20-8-10-23-19-7-5-15(11-18(19)20)16-3-2-9-22-13-16/h2-13,25H,1H3,(H,23,24).
What are the key properties of 4-methyl-3-[(6-pyridin-3-ylquinolin-4-yl)amino]phenol?
4-methyl-3-[(6-pyridin-3-ylquinolin-4-yl)amino]phenol has a molecular weight of 327.39 g/mol, XLogP of 5.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(6-pyridin-3-ylquinolin-4-yl)amino]phenol is sourced from PubChem (CID 25023830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).