2-[[4-(6-chloropyridine-3-carbonyl)phenyl]methoxy]-3-methylpyrido[1,2-a]pyrimidin-4-one

C22H16ClN3O3 — CID 18919290

IUPAC2-[[4-(6-chloropyridine-3-carbonyl)phenyl]methoxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(OCc2ccc(C(=O)c3ccc(Cl)nc3)cc2)nc2ccccn2c1=O
InChIInChI=1S/C22H16ClN3O3/c1-14-21(25-19-4-2-3-11-26(19)22(14)28)29-13-15-5-7-16(8-6-15)20(27)17-9-10-18(23)24-12-17/h2-12H,13H2,1H3
InChIKeySIJJBLDQJSRRGF-UHFFFAOYSA-N
MW405.84 g/mol
LogP3.86
Rot. Bonds5

About 2-[[4-(6-chloropyridine-3-carbonyl)phenyl]methoxy]-3-methylpyrido[1,2-a]pyrimidin-4-one

2-[[4-(6-chloropyridine-3-carbonyl)phenyl]methoxy]-3-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 18919290) has the molecular formula C22H16ClN3O3 and a molecular weight of 405.84 g/mol. Its IUPAC name is 2-[[4-(6-chloropyridine-3-carbonyl)phenyl]methoxy]-3-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[4-(6-chloropyridine-3-carbonyl)phenyl]methoxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID18919290
Molecular FormulaC22H16ClN3O3
Molecular Weight405.84 g/mol
Exact Mass405.09
IUPAC Name2-[[4-(6-chloropyridine-3-carbonyl)phenyl]methoxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(OCc2ccc(C(=O)c3ccc(Cl)nc3)cc2)nc2ccccn2c1=O
InChIInChI=1S/C22H16ClN3O3/c1-14-21(25-19-4-2-3-11-26(19)22(14)28)29-13-15-5-7-16(8-6-15)20(27)17-9-10-18(23)24-12-17/h2-12H,13H2,1H3
InChIKeySIJJBLDQJSRRGF-UHFFFAOYSA-N
XLogP3.86
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.84
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(4-chlorobenzoyl)phenyl]methoxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
CID 18918811
9-[[4-(4-chlorobenzoyl)phenyl]methoxy]-2,3-dimethylpyrido[1,2-a]pyrimidin-4-one
CID 18919249
8-[[4-(4-chlorobenzoyl)phenyl]methoxy]-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 18919151
2-phenylmethoxy-3-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)benzoyl]pyrido[1,2-a]pyrimidin-4-one;dihydrochloride
CID 67650693
3-(4-methoxybenzoyl)pyrido[1,2-a]pyrimidin-4-one
CID 97032771
2-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 78895322
6-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 9021014
6-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-3-carboxamide
CID 23474315
3-bromo-2-propoxypyrido[1,2-a]pyrimidin-4-one
CID 68855687
(4-phenylphenyl)methyl 6-chloropyridine-3-carboxylate
CID 18225999
6-chloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 46456887
methyl 4-([1,2,4]triazolo[4,3-a]pyridin-3-yloxymethyl)benzoate
CID 9355701

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(6-chloropyridine-3-carbonyl)phenyl]methoxy]-3-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[4-(6-chloropyridine-3-carbonyl)phenyl]methoxy]-3-methylpyrido[1,2-a]pyrimidin-4-one (CID 18919290) is 2-[[4-(6-chloropyridine-3-carbonyl)phenyl]methoxy]-3-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[4-(6-chloropyridine-3-carbonyl)phenyl]methoxy]-3-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[4-(6-chloropyridine-3-carbonyl)phenyl]methoxy]-3-methylpyrido[1,2-a]pyrimidin-4-one is Cc1c(OCc2ccc(C(=O)c3ccc(Cl)nc3)cc2)nc2ccccn2c1=O.
What is the InChIKey of 2-[[4-(6-chloropyridine-3-carbonyl)phenyl]methoxy]-3-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is SIJJBLDQJSRRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O3/c1-14-21(25-19-4-2-3-11-26(19)22(14)28)29-13-15-5-7-16(8-6-15)20(27)17-9-10-18(23)24-12-17/h2-12H,13H2,1H3.
What are the key properties of 2-[[4-(6-chloropyridine-3-carbonyl)phenyl]methoxy]-3-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[4-(6-chloropyridine-3-carbonyl)phenyl]methoxy]-3-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 405.84 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(6-chloropyridine-3-carbonyl)phenyl]methoxy]-3-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 18919290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).