N-(2-morpholin-4-yl-6-pyridin-3-ylpyrimidin-4-yl)quinolin-3-amine

C22H20N6O — CID 53324065

IUPACN-(2-morpholin-4-yl-6-pyridin-3-ylpyrimidin-4-yl)quinolin-3-amine
SMILESc1cncc(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C22H20N6O/c1-2-6-19-16(4-1)12-18(15-24-19)25-21-13-20(17-5-3-7-23-14-17)26-22(27-21)28-8-10-29-11-9-28/h1-7,12-15H,8-11H2,(H,25,26,27)
InChIKeyDSFFUGFEBSCYPD-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.67
Rot. Bonds4

About N-(2-morpholin-4-yl-6-pyridin-3-ylpyrimidin-4-yl)quinolin-3-amine

N-(2-morpholin-4-yl-6-pyridin-3-ylpyrimidin-4-yl)quinolin-3-amine (PubChem CID 53324065) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-6-pyridin-3-ylpyrimidin-4-yl)quinolin-3-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-6-pyridin-3-ylpyrimidin-4-yl)quinolin-3-amine
PubChem CID53324065
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC NameN-(2-morpholin-4-yl-6-pyridin-3-ylpyrimidin-4-yl)quinolin-3-amine
SMILESc1cncc(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C22H20N6O/c1-2-6-19-16(4-1)12-18(15-24-19)25-21-13-20(17-5-3-7-23-14-17)26-22(27-21)28-8-10-29-11-9-28/h1-7,12-15H,8-11H2,(H,25,26,27)
InChIKeyDSFFUGFEBSCYPD-UHFFFAOYSA-N
XLogP3.67
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-6-pyridin-3-ylpyrimidin-4-yl)quinolin-3-amine?
The IUPAC name of N-(2-morpholin-4-yl-6-pyridin-3-ylpyrimidin-4-yl)quinolin-3-amine (CID 53324065) is N-(2-morpholin-4-yl-6-pyridin-3-ylpyrimidin-4-yl)quinolin-3-amine.
What is the SMILES notation for N-(2-morpholin-4-yl-6-pyridin-3-ylpyrimidin-4-yl)quinolin-3-amine?
The canonical SMILES for N-(2-morpholin-4-yl-6-pyridin-3-ylpyrimidin-4-yl)quinolin-3-amine is c1cncc(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)c1.
What is the InChIKey of N-(2-morpholin-4-yl-6-pyridin-3-ylpyrimidin-4-yl)quinolin-3-amine?
The InChIKey is DSFFUGFEBSCYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c1-2-6-19-16(4-1)12-18(15-24-19)25-21-13-20(17-5-3-7-23-14-17)26-22(27-21)28-8-10-29-11-9-28/h1-7,12-15H,8-11H2,(H,25,26,27).
What are the key properties of N-(2-morpholin-4-yl-6-pyridin-3-ylpyrimidin-4-yl)quinolin-3-amine?
N-(2-morpholin-4-yl-6-pyridin-3-ylpyrimidin-4-yl)quinolin-3-amine has a molecular weight of 384.44 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-6-pyridin-3-ylpyrimidin-4-yl)quinolin-3-amine is sourced from PubChem (CID 53324065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).