6-methoxy-1-methylpyrimido[1,2-a]quinolin-3-one

C14H12N2O2 — CID 134115313

IUPAC6-methoxy-1-methylpyrimido[1,2-a]quinolin-3-one
SMILESCOc1cc2nc(=O)cc(C)n2c2ccccc12
InChIInChI=1S/C14H12N2O2/c1-9-7-14(17)15-13-8-12(18-2)10-5-3-4-6-11(10)16(9)13/h3-8H,1-2H3
InChIKeyOCAUTLLWEDKOLG-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.16
Rot. Bonds1

About 6-methoxy-1-methylpyrimido[1,2-a]quinolin-3-one

6-methoxy-1-methylpyrimido[1,2-a]quinolin-3-one (PubChem CID 134115313) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 6-methoxy-1-methylpyrimido[1,2-a]quinolin-3-one.

Molecular Properties

Compound Name6-methoxy-1-methylpyrimido[1,2-a]quinolin-3-one
PubChem CID134115313
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name6-methoxy-1-methylpyrimido[1,2-a]quinolin-3-one
SMILESCOc1cc2nc(=O)cc(C)n2c2ccccc12
InChIInChI=1S/C14H12N2O2/c1-9-7-14(17)15-13-8-12(18-2)10-5-3-4-6-11(10)16(9)13/h3-8H,1-2H3
InChIKeyOCAUTLLWEDKOLG-UHFFFAOYSA-N
XLogP2.16
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-methylquinolino[2,1-b]quinazolin-12-one
CID 14666352
15-methyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one
CID 12539302
1-ethyl-4-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 17091365
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
CID 5072346
3-amino-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
CID 777426
1-(3-hydroxy-4-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 127031821
2,4,10-trimethylpyrimido[1,2-a]indole
CID 23517333
3-amino-2-(2-methoxyphenyl)quinazolin-4-one
CID 805125
2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide
CID 3612650
1-methyl-2-(3,4,5-trimethoxyphenyl)benzimidazole
CID 888632
(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 1128770
7-tert-butyl-4-methylpyrimido[1,2-c]pyrimidine-2,6-dione
CID 153432371

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-methylpyrimido[1,2-a]quinolin-3-one?
The IUPAC name of 6-methoxy-1-methylpyrimido[1,2-a]quinolin-3-one (CID 134115313) is 6-methoxy-1-methylpyrimido[1,2-a]quinolin-3-one.
What is the SMILES notation for 6-methoxy-1-methylpyrimido[1,2-a]quinolin-3-one?
The canonical SMILES for 6-methoxy-1-methylpyrimido[1,2-a]quinolin-3-one is COc1cc2nc(=O)cc(C)n2c2ccccc12.
What is the InChIKey of 6-methoxy-1-methylpyrimido[1,2-a]quinolin-3-one?
The InChIKey is OCAUTLLWEDKOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-9-7-14(17)15-13-8-12(18-2)10-5-3-4-6-11(10)16(9)13/h3-8H,1-2H3.
What are the key properties of 6-methoxy-1-methylpyrimido[1,2-a]quinolin-3-one?
6-methoxy-1-methylpyrimido[1,2-a]quinolin-3-one has a molecular weight of 240.26 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-methylpyrimido[1,2-a]quinolin-3-one is sourced from PubChem (CID 134115313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).