ethyl 1-(4-methoxyphenyl)iminopyrido[1,2-c]pyrimidine-3-carboxylate

C18H17N3O3 — CID 10734691

IUPACethyl 1-(4-methoxyphenyl)iminopyrido[1,2-c]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cc2ccccn2/c(=N/c2ccc(OC)cc2)n1
InChIInChI=1S/C18H17N3O3/c1-3-24-17(22)16-12-14-6-4-5-11-21(14)18(20-16)19-13-7-9-15(23-2)10-8-13/h4-12H,3H2,1-2H3/b19-18+
InChIKeyVCKGEYRUGZTWOL-VHEBQXMUSA-N
MW323.35 g/mol
LogP2.75
Rot. Bonds4

About ethyl 1-(4-methoxyphenyl)iminopyrido[1,2-c]pyrimidine-3-carboxylate

ethyl 1-(4-methoxyphenyl)iminopyrido[1,2-c]pyrimidine-3-carboxylate (PubChem CID 10734691) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is ethyl 1-(4-methoxyphenyl)iminopyrido[1,2-c]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-methoxyphenyl)iminopyrido[1,2-c]pyrimidine-3-carboxylate
PubChem CID10734691
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Nameethyl 1-(4-methoxyphenyl)iminopyrido[1,2-c]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cc2ccccn2/c(=N/c2ccc(OC)cc2)n1
InChIInChI=1S/C18H17N3O3/c1-3-24-17(22)16-12-14-6-4-5-11-21(14)18(20-16)19-13-7-9-15(23-2)10-8-13/h4-12H,3H2,1-2H3/b19-18+
InChIKeyVCKGEYRUGZTWOL-VHEBQXMUSA-N
XLogP2.75
TPSA65.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(4-fluorophenyl)iminopyrido[1,2-c]pyrimidine-3-carboxylate
CID 10638760
ethyl 6-[(1,3-dioxoisoindol-2-yl)methyl]-4-(4-methoxyphenyl)pyridine-2-carboxylate
CID 178053172
ethyl 2-acetylindolizine-3-carboxylate
CID 91665485
ethyl 2-hydroxy-3-(4-methoxyphenyl)-4-oxoquinolizine-1-carboxylate
CID 102058257
ethyl 10-methoxy-7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate
CID 101076102
ethyl 1-[(4-methoxyphenyl)methylcarbamoyl]indolizine-3-carboxylate
CID 132502553
ethyl 7-(3-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 42877149
ethyl 7-methoxy-1-phenylsulfanylisoquinoline-3-carboxylate
CID 132962008
ethyl 3-phenyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8,10,12-hexaene-5-carboxylate
CID 10591570
diethyl 4-(3-methoxyphenyl)sulfanylpyridine-2,6-dicarboxylate
CID 2746946
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451
ethyl 2,6-dimethyl-5-[(2-methylindolizine-3-carbonyl)amino]pyridine-3-carboxylate
CID 23794192

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-methoxyphenyl)iminopyrido[1,2-c]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 1-(4-methoxyphenyl)iminopyrido[1,2-c]pyrimidine-3-carboxylate (CID 10734691) is ethyl 1-(4-methoxyphenyl)iminopyrido[1,2-c]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-methoxyphenyl)iminopyrido[1,2-c]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 1-(4-methoxyphenyl)iminopyrido[1,2-c]pyrimidine-3-carboxylate is CCOC(=O)c1cc2ccccn2/c(=N/c2ccc(OC)cc2)n1.
What is the InChIKey of ethyl 1-(4-methoxyphenyl)iminopyrido[1,2-c]pyrimidine-3-carboxylate?
The InChIKey is VCKGEYRUGZTWOL-VHEBQXMUSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-3-24-17(22)16-12-14-6-4-5-11-21(14)18(20-16)19-13-7-9-15(23-2)10-8-13/h4-12H,3H2,1-2H3/b19-18+.
What are the key properties of ethyl 1-(4-methoxyphenyl)iminopyrido[1,2-c]pyrimidine-3-carboxylate?
ethyl 1-(4-methoxyphenyl)iminopyrido[1,2-c]pyrimidine-3-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-methoxyphenyl)iminopyrido[1,2-c]pyrimidine-3-carboxylate is sourced from PubChem (CID 10734691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).