3-ethoxy-4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzaldehyde

C19H18N2O4 — CID 2087618

IUPAC3-ethoxy-4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzaldehyde
SMILESCCOc1cc(C=O)ccc1OCc1cc(=O)n2cc(C)ccc2n1
InChIInChI=1S/C19H18N2O4/c1-3-24-17-8-14(11-22)5-6-16(17)25-12-15-9-19(23)21-10-13(2)4-7-18(21)20-15/h4-11H,3,12H2,1-2H3
InChIKeyQXOVATPYISGVMI-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.79
Rot. Bonds6

About 3-ethoxy-4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzaldehyde

3-ethoxy-4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzaldehyde (PubChem CID 2087618) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 3-ethoxy-4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-ethoxy-4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzaldehyde
PubChem CID2087618
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name3-ethoxy-4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzaldehyde
SMILESCCOc1cc(C=O)ccc1OCc1cc(=O)n2cc(C)ccc2n1
InChIInChI=1S/C19H18N2O4/c1-3-24-17-8-14(11-22)5-6-16(17)25-12-15-9-19(23)21-10-13(2)4-7-18(21)20-15/h4-11H,3,12H2,1-2H3
InChIKeyQXOVATPYISGVMI-UHFFFAOYSA-N
XLogP2.79
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(7-Bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3,4-dimethoxyphenyl)acetate
CID 2429966
2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 6224254
3-(3,4-Dimethoxyphenyl)-2-(4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one
CID 76313832
(7-Bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1,3-benzodioxole-5-carboxylate
CID 2469055
(7-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 7542886
(7-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,3,4-trimethoxybenzoate
CID 7679170
2-(4-acetyl-2-methoxyphenoxy)-N-{2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}acetamide
CID 44010041
2-(4-acetyl-2-methoxyphenoxy)-N-{2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}acetamide
CID 44010055
2-(2-(3,4-dimethoxyphenyl)-2-oxoethoxy)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 44117946
4-[2-[2-Ethyl-4-trifluoromethyl-6-oxo-1,6-dihydro-1-pyrimidinyl]ethoxy]benzaldehyde
CID 21960150
2-[(E)-2-(2-butoxy-3-methoxyphenyl)ethenyl]-3-[4-(trifluoromethoxy)phenyl]pyrido[1,2-a]pyrimidin-4-one
CID 44217173
2-[2-(2-Butoxy-3-methoxyphenyl)ethenyl]-3-[4-(trifluoromethoxy)phenyl]pyrido[1,2-a]pyrimidin-4-one
CID 67548261

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzaldehyde?
The IUPAC name of 3-ethoxy-4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzaldehyde (CID 2087618) is 3-ethoxy-4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzaldehyde.
What is the SMILES notation for 3-ethoxy-4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzaldehyde?
The canonical SMILES for 3-ethoxy-4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzaldehyde is CCOc1cc(C=O)ccc1OCc1cc(=O)n2cc(C)ccc2n1.
What is the InChIKey of 3-ethoxy-4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzaldehyde?
The InChIKey is QXOVATPYISGVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-3-24-17-8-14(11-22)5-6-16(17)25-12-15-9-19(23)21-10-13(2)4-7-18(21)20-15/h4-11H,3,12H2,1-2H3.
What are the key properties of 3-ethoxy-4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzaldehyde?
3-ethoxy-4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzaldehyde has a molecular weight of 338.36 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzaldehyde is sourced from PubChem (CID 2087618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).