5-ethenyl-2-(2-methoxyanilino)-8-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-7-one

C23H20N4O3 — CID 171547303

IUPAC5-ethenyl-2-(2-methoxyanilino)-8-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-7-one
SMILESC=Cc1cc(=O)n(-c2ccc(OC)cc2)c2nc(Nc3ccccc3OC)ncc12
InChIInChI=1S/C23H20N4O3/c1-4-15-13-21(28)27(16-9-11-17(29-2)12-10-16)22-18(15)14-24-23(26-22)25-19-7-5-6-8-20(19)30-3/h4-14H,1H2,2-3H3,(H,24,25,26)
InChIKeyDWTXKVSNHXTAJA-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.18
Rot. Bonds6

About 5-ethenyl-2-(2-methoxyanilino)-8-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-7-one

5-ethenyl-2-(2-methoxyanilino)-8-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 171547303) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 5-ethenyl-2-(2-methoxyanilino)-8-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-ethenyl-2-(2-methoxyanilino)-8-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID171547303
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name5-ethenyl-2-(2-methoxyanilino)-8-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-7-one
SMILESC=Cc1cc(=O)n(-c2ccc(OC)cc2)c2nc(Nc3ccccc3OC)ncc12
InChIInChI=1S/C23H20N4O3/c1-4-15-13-21(28)27(16-9-11-17(29-2)12-10-16)22-18(15)14-24-23(26-22)25-19-7-5-6-8-20(19)30-3/h4-14H,1H2,2-3H3,(H,24,25,26)
InChIKeyDWTXKVSNHXTAJA-UHFFFAOYSA-N
XLogP4.18
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

8-(4-aminophenyl)-5-ethynyl-2-(2-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one
CID 171547514
2-(2-methoxyanilino)-8-(4-nitrophenyl)-5-[2-tri(propan-2-yl)silylethynyl]pyrido[2,3-d]pyrimidin-7-one
CID 171546757
N-[3-[5-ethynyl-2-(2-methoxyanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]cyclopropanesulfonamide
CID 171546685
N-[3-[2-(2-methoxyanilino)-7-oxo-5-[2-tri(propan-2-yl)silylethynyl]pyrido[2,3-d]pyrimidin-8-yl]phenyl]acetamide
CID 171546711
N-[3-[2-(2-methoxyanilino)-7-oxo-5-[2-tri(propan-2-yl)silylethynyl]pyrido[2,3-d]pyrimidin-8-yl]phenyl]methanesulfonamide
CID 171547105
5-chloro-4-N-[4-methoxy-2-(methylamino)phenyl]-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 67962528
11-(4-methoxyanilino)-8-[3-(2-methoxyphenyl)phenyl]-3,4,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-7-one
CID 90407596
[6-cyano-2-(2-methoxyanilino)-7-oxo-8-phenylpyrido[2,3-d]pyrimidin-5-yl] trifluoromethanesulfonate
CID 171546860
N-[3-[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-7-oxo-5-(4-phenylphenyl)pyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide
CID 122205448
2-(2-methoxyanilino)-7-oxo-8-phenyl-5-[2-tri(propan-2-yl)silylethynyl]pyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 171547483
N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[8-[4-(dimethylamino)phenyl]-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide
CID 142304271
N-[4-[2-(4-methoxyanilino)-7-oxopteridin-8-yl]phenyl]prop-2-enamide
CID 72713172

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-(2-methoxyanilino)-8-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 5-ethenyl-2-(2-methoxyanilino)-8-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-7-one (CID 171547303) is 5-ethenyl-2-(2-methoxyanilino)-8-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 5-ethenyl-2-(2-methoxyanilino)-8-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 5-ethenyl-2-(2-methoxyanilino)-8-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-7-one is C=Cc1cc(=O)n(-c2ccc(OC)cc2)c2nc(Nc3ccccc3OC)ncc12.
What is the InChIKey of 5-ethenyl-2-(2-methoxyanilino)-8-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is DWTXKVSNHXTAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-4-15-13-21(28)27(16-9-11-17(29-2)12-10-16)22-18(15)14-24-23(26-22)25-19-7-5-6-8-20(19)30-3/h4-14H,1H2,2-3H3,(H,24,25,26).
What are the key properties of 5-ethenyl-2-(2-methoxyanilino)-8-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-7-one?
5-ethenyl-2-(2-methoxyanilino)-8-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 400.44 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-(2-methoxyanilino)-8-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 171547303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).