4-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-2-one

C22H20N6O2 — CID 53322730

IUPAC4-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-2-one
SMILESO=c1cc(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)cc[nH]1
InChIInChI=1S/C22H20N6O2/c29-21-12-16(5-6-23-21)19-13-20(27-22(26-19)28-7-9-30-10-8-28)25-17-11-15-3-1-2-4-18(15)24-14-17/h1-6,11-14H,7-10H2,(H,23,29)(H,25,26,27)
InChIKeyZCZUJISEAXOKOE-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.96
Rot. Bonds4

About 4-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-2-one

4-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-2-one (PubChem CID 53322730) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 4-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-2-one
PubChem CID53322730
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Name4-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-2-one
SMILESO=c1cc(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)cc[nH]1
InChIInChI=1S/C22H20N6O2/c29-21-12-16(5-6-23-21)19-13-20(27-22(26-19)28-7-9-30-10-8-28)25-17-11-15-3-1-2-4-18(15)24-14-17/h1-6,11-14H,7-10H2,(H,23,29)(H,25,26,27)
InChIKeyZCZUJISEAXOKOE-UHFFFAOYSA-N
XLogP2.96
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-2-one (CID 53322730) is 4-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-2-one is O=c1cc(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)cc[nH]1.
What is the InChIKey of 4-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-2-one?
The InChIKey is ZCZUJISEAXOKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c29-21-12-16(5-6-23-21)19-13-20(27-22(26-19)28-7-9-30-10-8-28)25-17-11-15-3-1-2-4-18(15)24-14-17/h1-6,11-14H,7-10H2,(H,23,29)(H,25,26,27).
What are the key properties of 4-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-2-one?
4-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-2-one has a molecular weight of 400.44 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 53322730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).