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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Related Compounds

4-[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]morpholine
CID 141410963
7-[(4-methoxyphenyl)methyl]-6-methyl-3-(1,4-oxazepan-4-yl)imidazo[1,5-a]pyrazin-8-one
CID 122652220
8-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)-11-morpholin-4-yl-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one
CID 146301230
2-(4-methoxyphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544086
1,3-bis[(4-methoxyphenyl)methyl]-6-[(2-morpholin-4-yl-3-pyridinyl)methylamino]-1,3,5-triazine-2,4-dione
CID 25105963
4-[1-[(4-methoxyphenyl)methyl]-2H-pyrido[3,2-d]pyrimidin-7-yl]morpholine
CID 162348657
6-methoxy-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)quinazolin-2-one
CID 72793279
3-[(4-methoxyphenyl)methyl]-2-methyl-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one
CID 122637774
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(2-morpholin-4-yl-4-pyridinyl)propan-1-one
CID 53186007
N-[(2,4-dimethoxyphenyl)methyl]-1-(6-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride
CID 47030468
N-[(3,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-yl-4-pyridinyl)methanamine
CID 38048783
8-[(4-methoxyphenyl)methyl]-5-methyl-11-morpholin-4-yl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraene-4,7-dione
CID 166705508

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).