6-methyl-2-[(2-oxo-4-propylchromen-7-yl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one

C22H20N2O4 — CID 51293952

IUPAC6-methyl-2-[(2-oxo-4-propylchromen-7-yl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCCc1cc(=O)oc2cc(OCc3cc(=O)n4c(C)cccc4n3)ccc12
InChIInChI=1S/C22H20N2O4/c1-3-5-15-10-22(26)28-19-12-17(8-9-18(15)19)27-13-16-11-21(25)24-14(2)6-4-7-20(24)23-16/h4,6-12H,3,5,13H2,1-2H3
InChIKeyQRMHKRCGZGUHHX-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.64
Rot. Bonds5

About 6-methyl-2-[(2-oxo-4-propylchromen-7-yl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one

6-methyl-2-[(2-oxo-4-propylchromen-7-yl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 51293952) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 6-methyl-2-[(2-oxo-4-propylchromen-7-yl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-2-[(2-oxo-4-propylchromen-7-yl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID51293952
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name6-methyl-2-[(2-oxo-4-propylchromen-7-yl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCCc1cc(=O)oc2cc(OCc3cc(=O)n4c(C)cccc4n3)ccc12
InChIInChI=1S/C22H20N2O4/c1-3-5-15-10-22(26)28-19-12-17(8-9-18(15)19)27-13-16-11-21(25)24-14(2)6-4-7-20(24)23-16/h4,6-12H,3,5,13H2,1-2H3
InChIKeyQRMHKRCGZGUHHX-UHFFFAOYSA-N
XLogP3.64
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

7-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-4-propylchromen-2-one
CID 112787885
7-(naphthalen-1-ylmethoxy)-4-propylchromen-2-one
CID 7917681
7-[(2-methylnaphthalen-1-yl)methoxy]-4-propylchromen-2-one
CID 23763929
7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-propylchromen-2-one
CID 7917685
4-propyl-7-[(3,4,5-trimethoxyphenyl)methoxy]chromen-2-one
CID 1325534
7-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-4-propylchromen-2-one
CID 46583293
4-propyl-7-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methoxy]chromen-2-one
CID 46933173
7-[(4-bromophenyl)methoxy]-4-propylchromen-2-one
CID 22310572
N-(2,3-dimethylphenyl)-N-[4-[(2-oxo-4-propylchromen-7-yl)oxymethyl]-1,3-thiazol-2-yl]acetamide
CID 38916891
7-(6-chloro-2-methylpyrimidin-4-yl)oxy-4-propylchromen-2-one
CID 133280797
7-[(2-chloro-4-fluorophenyl)methoxy]-4-propylchromen-2-one
CID 886164
N-(2,6-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 2196142

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(2-oxo-4-propylchromen-7-yl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-methyl-2-[(2-oxo-4-propylchromen-7-yl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one (CID 51293952) is 6-methyl-2-[(2-oxo-4-propylchromen-7-yl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-2-[(2-oxo-4-propylchromen-7-yl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-methyl-2-[(2-oxo-4-propylchromen-7-yl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one is CCCc1cc(=O)oc2cc(OCc3cc(=O)n4c(C)cccc4n3)ccc12.
What is the InChIKey of 6-methyl-2-[(2-oxo-4-propylchromen-7-yl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QRMHKRCGZGUHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-3-5-15-10-22(26)28-19-12-17(8-9-18(15)19)27-13-16-11-21(25)24-14(2)6-4-7-20(24)23-16/h4,6-12H,3,5,13H2,1-2H3.
What are the key properties of 6-methyl-2-[(2-oxo-4-propylchromen-7-yl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one?
6-methyl-2-[(2-oxo-4-propylchromen-7-yl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 376.41 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(2-oxo-4-propylchromen-7-yl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 51293952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).