1-[4-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-phenylurea

C23H20N4O3 — CID 46356408

IUPAC1-[4-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-phenylurea
SMILESCc1ccn2c(=O)cc(COc3ccc(NC(=O)Nc4ccccc4)cc3)nc2c1
InChIInChI=1S/C23H20N4O3/c1-16-11-12-27-21(13-16)24-19(14-22(27)28)15-30-20-9-7-18(8-10-20)26-23(29)25-17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H2,25,26,29)
InChIKeyVRFIBMFHMAGJQK-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.23
Rot. Bonds5

About 1-[4-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-phenylurea

1-[4-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-phenylurea (PubChem CID 46356408) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 1-[4-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-phenylurea
PubChem CID46356408
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name1-[4-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-phenylurea
SMILESCc1ccn2c(=O)cc(COc3ccc(NC(=O)Nc4ccccc4)cc3)nc2c1
InChIInChI=1S/C23H20N4O3/c1-16-11-12-27-21(13-16)24-19(14-22(27)28)15-30-20-9-7-18(8-10-20)26-23(29)25-17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H2,25,26,29)
InChIKeyVRFIBMFHMAGJQK-UHFFFAOYSA-N
XLogP4.23
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[4-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate
CID 46356426
1-(3-chloro-4-fluorophenyl)-3-[4-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46183564
2-(4-methoxyphenoxy)-N-[3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 50802646
1-(3-chloro-4-methylphenyl)-3-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46355951
1-(4-ethylphenyl)-3-[4-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46356469
4-methoxy-N-[3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 50802599
1-(2-methoxyphenyl)-3-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46355960
N-[4-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 46356435
ethyl 2-[[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate
CID 46355958
N-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 46355928
1-[2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 46356336
methyl 2-[[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate
CID 46356634

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-phenylurea?
The IUPAC name of 1-[4-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-phenylurea (CID 46356408) is 1-[4-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-phenylurea is Cc1ccn2c(=O)cc(COc3ccc(NC(=O)Nc4ccccc4)cc3)nc2c1.
What is the InChIKey of 1-[4-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-phenylurea?
The InChIKey is VRFIBMFHMAGJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-16-11-12-27-21(13-16)24-19(14-22(27)28)15-30-20-9-7-18(8-10-20)26-23(29)25-17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H2,25,26,29).
What are the key properties of 1-[4-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-phenylurea?
1-[4-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-phenylurea has a molecular weight of 400.44 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-phenylurea is sourced from PubChem (CID 46356408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).