ethyl (E)-3-(3,5-dimethoxyphenyl)-3-(7-morpholin-4-yl-1,5-naphthyridin-2-yl)prop-2-enoate

C25H27N3O5 — CID 118333024

IUPACethyl (E)-3-(3,5-dimethoxyphenyl)-3-(7-morpholin-4-yl-1,5-naphthyridin-2-yl)prop-2-enoate
SMILESCCOC(=O)/C=C(\c1cc(OC)cc(OC)c1)c1ccc2ncc(N3CCOCC3)cc2n1
InChIInChI=1S/C25H27N3O5/c1-4-33-25(29)15-21(17-11-19(30-2)14-20(12-17)31-3)22-5-6-23-24(27-22)13-18(16-26-23)28-7-9-32-10-8-28/h5-6,11-16H,4,7-10H2,1-3H3/b21-15+
InChIKeyBBIHYOSDMSDFHC-RCCKNPSSSA-N
MW449.51 g/mol
LogP3.48
Rot. Bonds7

About ethyl (E)-3-(3,5-dimethoxyphenyl)-3-(7-morpholin-4-yl-1,5-naphthyridin-2-yl)prop-2-enoate

ethyl (E)-3-(3,5-dimethoxyphenyl)-3-(7-morpholin-4-yl-1,5-naphthyridin-2-yl)prop-2-enoate (PubChem CID 118333024) has the molecular formula C25H27N3O5 and a molecular weight of 449.51 g/mol. Its IUPAC name is ethyl (E)-3-(3,5-dimethoxyphenyl)-3-(7-morpholin-4-yl-1,5-naphthyridin-2-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(3,5-dimethoxyphenyl)-3-(7-morpholin-4-yl-1,5-naphthyridin-2-yl)prop-2-enoate
PubChem CID118333024
Molecular FormulaC25H27N3O5
Molecular Weight449.51 g/mol
Exact Mass449.20
IUPAC Nameethyl (E)-3-(3,5-dimethoxyphenyl)-3-(7-morpholin-4-yl-1,5-naphthyridin-2-yl)prop-2-enoate
SMILESCCOC(=O)/C=C(\c1cc(OC)cc(OC)c1)c1ccc2ncc(N3CCOCC3)cc2n1
InChIInChI=1S/C25H27N3O5/c1-4-33-25(29)15-21(17-11-19(30-2)14-20(12-17)31-3)22-5-6-23-24(27-22)13-18(16-26-23)28-7-9-32-10-8-28/h5-6,11-16H,4,7-10H2,1-3H3/b21-15+
InChIKeyBBIHYOSDMSDFHC-RCCKNPSSSA-N
XLogP3.48
TPSA83.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-methoxy-5-morpholin-4-ylbenzoate
CID 69175826
[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184633
ethyl (Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 10967969
ethyl 3-methoxyquinoxaline-6-carboxylate
CID 89443102
ethyl 3-(4-morpholin-4-ylphenyl)prop-2-enoate
CID 134129593
(4-methoxyphenyl)-(4-morpholin-4-ylphenyl)methanone
CID 22731230
4-methoxy-6-morpholin-4-ylquinoline-2-carboxylic acid
CID 102942059
ethyl (E)-3-[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-3-(4-methylphenyl)prop-2-enoate
CID 14871154
ethyl (E)-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)but-2-enoate
CID 114393889
(3,5-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone
CID 116748922
diethyl 4-(4-morpholin-4-ylanilino)quinoline-3,6-dicarboxylate
CID 1190175
(E)-2-(3-morpholin-4-ylquinoxalin-6-yl)prop-1-en-1-amine
CID 143761172

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(3,5-dimethoxyphenyl)-3-(7-morpholin-4-yl-1,5-naphthyridin-2-yl)prop-2-enoate?
The IUPAC name of ethyl (E)-3-(3,5-dimethoxyphenyl)-3-(7-morpholin-4-yl-1,5-naphthyridin-2-yl)prop-2-enoate (CID 118333024) is ethyl (E)-3-(3,5-dimethoxyphenyl)-3-(7-morpholin-4-yl-1,5-naphthyridin-2-yl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(3,5-dimethoxyphenyl)-3-(7-morpholin-4-yl-1,5-naphthyridin-2-yl)prop-2-enoate?
The canonical SMILES for ethyl (E)-3-(3,5-dimethoxyphenyl)-3-(7-morpholin-4-yl-1,5-naphthyridin-2-yl)prop-2-enoate is CCOC(=O)/C=C(\c1cc(OC)cc(OC)c1)c1ccc2ncc(N3CCOCC3)cc2n1.
What is the InChIKey of ethyl (E)-3-(3,5-dimethoxyphenyl)-3-(7-morpholin-4-yl-1,5-naphthyridin-2-yl)prop-2-enoate?
The InChIKey is BBIHYOSDMSDFHC-RCCKNPSSSA-N. The full InChI is InChI=1S/C25H27N3O5/c1-4-33-25(29)15-21(17-11-19(30-2)14-20(12-17)31-3)22-5-6-23-24(27-22)13-18(16-26-23)28-7-9-32-10-8-28/h5-6,11-16H,4,7-10H2,1-3H3/b21-15+.
What are the key properties of ethyl (E)-3-(3,5-dimethoxyphenyl)-3-(7-morpholin-4-yl-1,5-naphthyridin-2-yl)prop-2-enoate?
ethyl (E)-3-(3,5-dimethoxyphenyl)-3-(7-morpholin-4-yl-1,5-naphthyridin-2-yl)prop-2-enoate has a molecular weight of 449.51 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(3,5-dimethoxyphenyl)-3-(7-morpholin-4-yl-1,5-naphthyridin-2-yl)prop-2-enoate is sourced from PubChem (CID 118333024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).