2-chloro-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide

C23H18ClN3O3 — CID 46356036

IUPAC2-chloro-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
SMILESCc1cccn2c(=O)cc(COc3ccccc3NC(=O)c3ccccc3Cl)nc12
InChIInChI=1S/C23H18ClN3O3/c1-15-7-6-12-27-21(28)13-16(25-22(15)27)14-30-20-11-5-4-10-19(20)26-23(29)17-8-2-3-9-18(17)24/h2-13H,14H2,1H3,(H,26,29)
InChIKeyJABRCNQCEAEOJR-UHFFFAOYSA-N
MW419.87 g/mol
LogP4.49
Rot. Bonds5

About 2-chloro-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide

2-chloro-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide (PubChem CID 46356036) has the molecular formula C23H18ClN3O3 and a molecular weight of 419.87 g/mol. Its IUPAC name is 2-chloro-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
PubChem CID46356036
Molecular FormulaC23H18ClN3O3
Molecular Weight419.87 g/mol
Exact Mass419.10
IUPAC Name2-chloro-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
SMILESCc1cccn2c(=O)cc(COc3ccccc3NC(=O)c3ccccc3Cl)nc12
InChIInChI=1S/C23H18ClN3O3/c1-15-7-6-12-27-21(28)13-16(25-22(15)27)14-30-20-11-5-4-10-19(20)26-23(29)17-8-2-3-9-18(17)24/h2-13H,14H2,1H3,(H,26,29)
InChIKeyJABRCNQCEAEOJR-UHFFFAOYSA-N
XLogP4.49
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 46356035
3,4-dimethoxy-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 46356067
1-(2,5-dimethoxyphenyl)-3-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46356093
ethyl 4-[[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate
CID 46356100
1-[2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-(2-methylphenyl)urea
CID 46356697
2-chloro-N-[4-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide
CID 53092430
1-(2-chlorophenyl)-3-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46355871
N-(2-chloro-4-fluorophenyl)-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 24617117
N-[3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-(2-methylphenoxy)acetamide
CID 50802160
ethyl 2-[[2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate
CID 46356701
(2S)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]propanoic acid
CID 104876351
2-methyl-N-[3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]propanamide
CID 22580453

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide (CID 46356036) is 2-chloro-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide is Cc1cccn2c(=O)cc(COc3ccccc3NC(=O)c3ccccc3Cl)nc12.
What is the InChIKey of 2-chloro-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide?
The InChIKey is JABRCNQCEAEOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3/c1-15-7-6-12-27-21(28)13-16(25-22(15)27)14-30-20-11-5-4-10-19(20)26-23(29)17-8-2-3-9-18(17)24/h2-13H,14H2,1H3,(H,26,29).
What are the key properties of 2-chloro-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide?
2-chloro-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide has a molecular weight of 419.87 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide is sourced from PubChem (CID 46356036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).