1-(3-chloro-4-methylphenyl)-3-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea

C23H19ClN4O3 — CID 46355951

IUPAC1-(3-chloro-4-methylphenyl)-3-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
SMILESCc1ccc(NC(=O)Nc2ccc(OCc3cc(=O)n4ccccc4n3)cc2)cc1Cl
InChIInChI=1S/C23H19ClN4O3/c1-15-5-6-17(12-20(15)24)27-23(30)26-16-7-9-19(10-8-16)31-14-18-13-22(29)28-11-3-2-4-21(28)25-18/h2-13H,14H2,1H3,(H2,26,27,30)
InChIKeyJZOURVAFOWDWHF-UHFFFAOYSA-N
MW434.88 g/mol
LogP4.88
Rot. Bonds5

About 1-(3-chloro-4-methylphenyl)-3-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea

1-(3-chloro-4-methylphenyl)-3-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea (PubChem CID 46355951) has the molecular formula C23H19ClN4O3 and a molecular weight of 434.88 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
PubChem CID46355951
Molecular FormulaC23H19ClN4O3
Molecular Weight434.88 g/mol
Exact Mass434.11
IUPAC Name1-(3-chloro-4-methylphenyl)-3-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
SMILESCc1ccc(NC(=O)Nc2ccc(OCc3cc(=O)n4ccccc4n3)cc2)cc1Cl
InChIInChI=1S/C23H19ClN4O3/c1-15-5-6-17(12-20(15)24)27-23(30)26-16-7-9-19(10-8-16)31-14-18-13-22(29)28-11-3-2-4-21(28)25-18/h2-13H,14H2,1H3,(H2,26,27,30)
InChIKeyJZOURVAFOWDWHF-UHFFFAOYSA-N
XLogP4.88
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.88
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)-3-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46355960
ethyl 2-[[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate
CID 46355958
1-(3-chloro-4-fluorophenyl)-3-[4-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46183564
1-[4-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-phenylurea
CID 46356408
1-(2-chlorophenyl)-3-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46355902
N-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 46355928
1-(2,5-dimethylphenyl)-3-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46356000
2-(4-methoxyphenoxy)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 50802117
ethyl 2-[4-[[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]phenyl]acetate
CID 46356012
1-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-(3-methylsulfanylphenyl)urea
CID 46356024
2-(2-chlorophenoxy)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 46355983
1-[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-(3-methoxyphenyl)urea
CID 46356780

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea (CID 46355951) is 1-(3-chloro-4-methylphenyl)-3-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea is Cc1ccc(NC(=O)Nc2ccc(OCc3cc(=O)n4ccccc4n3)cc2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea?
The InChIKey is JZOURVAFOWDWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O3/c1-15-5-6-17(12-20(15)24)27-23(30)26-16-7-9-19(10-8-16)31-14-18-13-22(29)28-11-3-2-4-21(28)25-18/h2-13H,14H2,1H3,(H2,26,27,30).
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea?
1-(3-chloro-4-methylphenyl)-3-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea has a molecular weight of 434.88 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea is sourced from PubChem (CID 46355951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).