N-[4-[[3-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]oxy]phenyl]quinolin-2-amine

C26H21N5O — CID 46830612

IUPACN-[4-[[3-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]oxy]phenyl]quinolin-2-amine
SMILESCNc1cc(-c2cccnc2Oc2ccc(Nc3ccc4ccccc4n3)cc2)ccn1
InChIInChI=1S/C26H21N5O/c1-27-25-17-19(14-16-28-25)22-6-4-15-29-26(22)32-21-11-9-20(10-12-21)30-24-13-8-18-5-2-3-7-23(18)31-24/h2-17H,1H3,(H,27,28)(H,30,31)
InChIKeySYTLPGMWQNQGEQ-UHFFFAOYSA-N
MW419.49 g/mol
LogP6.27
Rot. Bonds6

About N-[4-[[3-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]oxy]phenyl]quinolin-2-amine

N-[4-[[3-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]oxy]phenyl]quinolin-2-amine (PubChem CID 46830612) has the molecular formula C26H21N5O and a molecular weight of 419.49 g/mol. Its IUPAC name is N-[4-[[3-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]oxy]phenyl]quinolin-2-amine.

Molecular Properties

Compound NameN-[4-[[3-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]oxy]phenyl]quinolin-2-amine
PubChem CID46830612
Molecular FormulaC26H21N5O
Molecular Weight419.49 g/mol
Exact Mass419.17
IUPAC NameN-[4-[[3-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]oxy]phenyl]quinolin-2-amine
SMILESCNc1cc(-c2cccnc2Oc2ccc(Nc3ccc4ccccc4n3)cc2)ccn1
InChIInChI=1S/C26H21N5O/c1-27-25-17-19(14-16-28-25)22-6-4-15-29-26(22)32-21-11-9-20(10-12-21)30-24-13-8-18-5-2-3-7-23(18)31-24/h2-17H,1H3,(H,27,28)(H,30,31)
InChIKeySYTLPGMWQNQGEQ-UHFFFAOYSA-N
XLogP6.27
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.49
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]oxy]phenyl]quinolin-2-amine?
The IUPAC name of N-[4-[[3-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]oxy]phenyl]quinolin-2-amine (CID 46830612) is N-[4-[[3-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]oxy]phenyl]quinolin-2-amine.
What is the SMILES notation for N-[4-[[3-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]oxy]phenyl]quinolin-2-amine?
The canonical SMILES for N-[4-[[3-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]oxy]phenyl]quinolin-2-amine is CNc1cc(-c2cccnc2Oc2ccc(Nc3ccc4ccccc4n3)cc2)ccn1.
What is the InChIKey of N-[4-[[3-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]oxy]phenyl]quinolin-2-amine?
The InChIKey is SYTLPGMWQNQGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O/c1-27-25-17-19(14-16-28-25)22-6-4-15-29-26(22)32-21-11-9-20(10-12-21)30-24-13-8-18-5-2-3-7-23(18)31-24/h2-17H,1H3,(H,27,28)(H,30,31).
What are the key properties of N-[4-[[3-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]oxy]phenyl]quinolin-2-amine?
N-[4-[[3-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]oxy]phenyl]quinolin-2-amine has a molecular weight of 419.49 g/mol, XLogP of 6.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]oxy]phenyl]quinolin-2-amine is sourced from PubChem (CID 46830612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).