2-[(Z)-1-chloro-2-(4-propoxyphenyl)ethenyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

C20H19ClN2O2 — CID 9037308

IUPAC2-[(Z)-1-chloro-2-(4-propoxyphenyl)ethenyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCCOc1ccc(/C=C(\Cl)c2cc(=O)n3cccc(C)c3n2)cc1
InChIInChI=1S/C20H19ClN2O2/c1-3-11-25-16-8-6-15(7-9-16)12-17(21)18-13-19(24)23-10-4-5-14(2)20(23)22-18/h4-10,12-13H,3,11H2,1-2H3/b17-12-
InChIKeyPITCSRAMJNEXBM-ATVHPVEESA-N
MW354.84 g/mol
LogP4.53
Rot. Bonds5

About 2-[(Z)-1-chloro-2-(4-propoxyphenyl)ethenyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

2-[(Z)-1-chloro-2-(4-propoxyphenyl)ethenyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 9037308) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 2-[(Z)-1-chloro-2-(4-propoxyphenyl)ethenyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(Z)-1-chloro-2-(4-propoxyphenyl)ethenyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID9037308
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name2-[(Z)-1-chloro-2-(4-propoxyphenyl)ethenyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCCOc1ccc(/C=C(\Cl)c2cc(=O)n3cccc(C)c3n2)cc1
InChIInChI=1S/C20H19ClN2O2/c1-3-11-25-16-8-6-15(7-9-16)12-17(21)18-13-19(24)23-10-4-5-14(2)20(23)22-18/h4-10,12-13H,3,11H2,1-2H3/b17-12-
InChIKeyPITCSRAMJNEXBM-ATVHPVEESA-N
XLogP4.53
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-chloro-2-(4-methylphenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one
CID 71901926
2-[(Z)-1-chloro-2-(4-methoxy-3-propoxyphenyl)ethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 9032588
2-[(Z)-1-chloro-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 9032368
7-chloro-2-[(Z)-1-chloro-2-(4-propoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135809710
8-methyl-2-(3-propoxyphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63617454
(2S)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]propanoic acid
CID 104876351
2-[2-[4-(fluoromethoxy)phenoxy]ethylamino]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 90290579
2-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 9032466
2-(2-aminoethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 115022990
2-[(4-chlorophenoxy)methyl]-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 94968829
1-(2,3-dimethylphenyl)-3-[4-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46356179
methyl 4-[[4-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate
CID 46356195

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-chloro-2-(4-propoxyphenyl)ethenyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(Z)-1-chloro-2-(4-propoxyphenyl)ethenyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (CID 9037308) is 2-[(Z)-1-chloro-2-(4-propoxyphenyl)ethenyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(Z)-1-chloro-2-(4-propoxyphenyl)ethenyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(Z)-1-chloro-2-(4-propoxyphenyl)ethenyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is CCCOc1ccc(/C=C(\Cl)c2cc(=O)n3cccc(C)c3n2)cc1.
What is the InChIKey of 2-[(Z)-1-chloro-2-(4-propoxyphenyl)ethenyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PITCSRAMJNEXBM-ATVHPVEESA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-3-11-25-16-8-6-15(7-9-16)12-17(21)18-13-19(24)23-10-4-5-14(2)20(23)22-18/h4-10,12-13H,3,11H2,1-2H3/b17-12-.
What are the key properties of 2-[(Z)-1-chloro-2-(4-propoxyphenyl)ethenyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
2-[(Z)-1-chloro-2-(4-propoxyphenyl)ethenyl]-9-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 354.84 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-chloro-2-(4-propoxyphenyl)ethenyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 9037308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).