2-(4-ethoxyanilino)-3-[(4-ethoxyphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one

C25H24N4O3 — CID 1159853

IUPAC2-(4-ethoxyanilino)-3-[(4-ethoxyphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCOc1ccc(/N=C/c2c(Nc3ccc(OCC)cc3)nc3ccccn3c2=O)cc1
InChIInChI=1S/C25H24N4O3/c1-3-31-20-12-8-18(9-13-20)26-17-22-24(27-19-10-14-21(15-11-19)32-4-2)28-23-7-5-6-16-29(23)25(22)30/h5-17,27H,3-4H2,1-2H3/b26-17+
InChIKeyHKWPVPLLAZDZKA-YZSQISJMSA-N
MW428.49 g/mol
LogP4.99
Rot. Bonds8

About 2-(4-ethoxyanilino)-3-[(4-ethoxyphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one

2-(4-ethoxyanilino)-3-[(4-ethoxyphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 1159853) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 2-(4-ethoxyanilino)-3-[(4-ethoxyphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-ethoxyanilino)-3-[(4-ethoxyphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID1159853
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name2-(4-ethoxyanilino)-3-[(4-ethoxyphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCOc1ccc(/N=C/c2c(Nc3ccc(OCC)cc3)nc3ccccn3c2=O)cc1
InChIInChI=1S/C25H24N4O3/c1-3-31-20-12-8-18(9-13-20)26-17-22-24(27-19-10-14-21(15-11-19)32-4-2)28-23-7-5-6-16-29(23)25(22)30/h5-17,27H,3-4H2,1-2H3/b26-17+
InChIKeyHKWPVPLLAZDZKA-YZSQISJMSA-N
XLogP4.99
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-anilino-3-[(4-chlorophenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one
CID 1159741
2-(4-methoxyanilino)-3-[(4-methoxyphenyl)iminomethyl]pyrimido[1,2-a]pyrimidin-4-one
CID 67375298
2-anilino-3-[(3-chlorophenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one
CID 1159739
2-anilino-3-(methoxymethyl)pyrido[1,2-a]pyrimidin-4-one
CID 71203112
3-[(E)-hydroxyiminomethyl]-2-[3-(trifluoromethyl)anilino]pyrido[1,2-a]pyrimidin-4-one
CID 135514246
4-[(4-ethoxyphenyl)iminomethyl]-3-hydroxy-2-(4-methylphenyl)isoquinolin-1-one
CID 3257363
2-(cyclopropylmethylamino)-3-(cyclopropylmethyliminomethyl)pyrido[1,2-a]pyrimidin-4-one
CID 53353889
2-(2-methoxyanilino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 4638153
3,4,5-trimethoxy-N-[(E)-[4-oxo-2-[3-(trifluoromethyl)anilino]pyrido[1,2-a]pyrimidin-3-yl]methylideneamino]benzamide
CID 135717436
N-(4-ethoxyphenyl)-4-(2-propylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
CID 57490462
2-(prop-2-enylamino)-3-(prop-2-ynyliminomethyl)pyrido[1,2-a]pyrimidin-4-one
CID 123783493
2-benzyl-4-[(4-ethoxyphenyl)iminomethyl]-3-hydroxyisoquinolin-1-one
CID 4139047

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyanilino)-3-[(4-ethoxyphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(4-ethoxyanilino)-3-[(4-ethoxyphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one (CID 1159853) is 2-(4-ethoxyanilino)-3-[(4-ethoxyphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(4-ethoxyanilino)-3-[(4-ethoxyphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(4-ethoxyanilino)-3-[(4-ethoxyphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one is CCOc1ccc(/N=C/c2c(Nc3ccc(OCC)cc3)nc3ccccn3c2=O)cc1.
What is the InChIKey of 2-(4-ethoxyanilino)-3-[(4-ethoxyphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is HKWPVPLLAZDZKA-YZSQISJMSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-3-31-20-12-8-18(9-13-20)26-17-22-24(27-19-10-14-21(15-11-19)32-4-2)28-23-7-5-6-16-29(23)25(22)30/h5-17,27H,3-4H2,1-2H3/b26-17+.
What are the key properties of 2-(4-ethoxyanilino)-3-[(4-ethoxyphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one?
2-(4-ethoxyanilino)-3-[(4-ethoxyphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 428.49 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyanilino)-3-[(4-ethoxyphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 1159853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).