4-chloro-1-[(4-methoxyphenyl)methyl]-7-morpholin-4-ylpyrido[4,3-d]pyrimidin-2-one

C19H19ClN4O3 — CID 152510710

IUPAC4-chloro-1-[(4-methoxyphenyl)methyl]-7-morpholin-4-ylpyrido[4,3-d]pyrimidin-2-one
SMILESCOc1ccc(Cn2c(=O)nc(Cl)c3cnc(N4CCOCC4)cc32)cc1
InChIInChI=1S/C19H19ClN4O3/c1-26-14-4-2-13(3-5-14)12-24-16-10-17(23-6-8-27-9-7-23)21-11-15(16)18(20)22-19(24)25/h2-5,10-11H,6-9,12H2,1H3
InChIKeyYFKXYMKWNPPNMI-UHFFFAOYSA-N
MW386.84 g/mol
LogP2.34
Rot. Bonds4

About 4-chloro-1-[(4-methoxyphenyl)methyl]-7-morpholin-4-ylpyrido[4,3-d]pyrimidin-2-one

4-chloro-1-[(4-methoxyphenyl)methyl]-7-morpholin-4-ylpyrido[4,3-d]pyrimidin-2-one (PubChem CID 152510710) has the molecular formula C19H19ClN4O3 and a molecular weight of 386.84 g/mol. Its IUPAC name is 4-chloro-1-[(4-methoxyphenyl)methyl]-7-morpholin-4-ylpyrido[4,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-chloro-1-[(4-methoxyphenyl)methyl]-7-morpholin-4-ylpyrido[4,3-d]pyrimidin-2-one
PubChem CID152510710
Molecular FormulaC19H19ClN4O3
Molecular Weight386.84 g/mol
Exact Mass386.11
IUPAC Name4-chloro-1-[(4-methoxyphenyl)methyl]-7-morpholin-4-ylpyrido[4,3-d]pyrimidin-2-one
SMILESCOc1ccc(Cn2c(=O)nc(Cl)c3cnc(N4CCOCC4)cc32)cc1
InChIInChI=1S/C19H19ClN4O3/c1-26-14-4-2-13(3-5-14)12-24-16-10-17(23-6-8-27-9-7-23)21-11-15(16)18(20)22-19(24)25/h2-5,10-11H,6-9,12H2,1H3
InChIKeyYFKXYMKWNPPNMI-UHFFFAOYSA-N
XLogP2.34
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(4-methoxyphenyl)methyl]-7-morpholin-4-ylpyrido[4,3-d]pyrimidin-2-one?
The IUPAC name of 4-chloro-1-[(4-methoxyphenyl)methyl]-7-morpholin-4-ylpyrido[4,3-d]pyrimidin-2-one (CID 152510710) is 4-chloro-1-[(4-methoxyphenyl)methyl]-7-morpholin-4-ylpyrido[4,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-chloro-1-[(4-methoxyphenyl)methyl]-7-morpholin-4-ylpyrido[4,3-d]pyrimidin-2-one?
The canonical SMILES for 4-chloro-1-[(4-methoxyphenyl)methyl]-7-morpholin-4-ylpyrido[4,3-d]pyrimidin-2-one is COc1ccc(Cn2c(=O)nc(Cl)c3cnc(N4CCOCC4)cc32)cc1.
What is the InChIKey of 4-chloro-1-[(4-methoxyphenyl)methyl]-7-morpholin-4-ylpyrido[4,3-d]pyrimidin-2-one?
The InChIKey is YFKXYMKWNPPNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3/c1-26-14-4-2-13(3-5-14)12-24-16-10-17(23-6-8-27-9-7-23)21-11-15(16)18(20)22-19(24)25/h2-5,10-11H,6-9,12H2,1H3.
What are the key properties of 4-chloro-1-[(4-methoxyphenyl)methyl]-7-morpholin-4-ylpyrido[4,3-d]pyrimidin-2-one?
4-chloro-1-[(4-methoxyphenyl)methyl]-7-morpholin-4-ylpyrido[4,3-d]pyrimidin-2-one has a molecular weight of 386.84 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(4-methoxyphenyl)methyl]-7-morpholin-4-ylpyrido[4,3-d]pyrimidin-2-one is sourced from PubChem (CID 152510710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).