2-anilino-8-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one

C22H20N4O3 — CID 18374812

IUPAC2-anilino-8-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1cc(Cn2c(=O)ccc3cnc(Nc4ccccc4)nc32)cc(OC)c1
InChIInChI=1S/C22H20N4O3/c1-28-18-10-15(11-19(12-18)29-2)14-26-20(27)9-8-16-13-23-22(25-21(16)26)24-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,23,24,25)
InChIKeyHNSULVLPBSSIQJ-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.60
Rot. Bonds6

About 2-anilino-8-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one

2-anilino-8-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 18374812) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 2-anilino-8-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-anilino-8-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID18374812
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name2-anilino-8-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1cc(Cn2c(=O)ccc3cnc(Nc4ccccc4)nc32)cc(OC)c1
InChIInChI=1S/C22H20N4O3/c1-28-18-10-15(11-19(12-18)29-2)14-26-20(27)9-8-16-13-23-22(25-21(16)26)24-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,23,24,25)
InChIKeyHNSULVLPBSSIQJ-UHFFFAOYSA-N
XLogP3.60
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

8-[(3,5-dimethoxyphenyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18375244
2-anilino-8-[(3-methylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one
CID 18374901
8-[(3-phenoxyphenyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18375307
2-anilino-8-[[2-(2-phenylethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 18374839
2-anilino-8-(2-naphthalen-2-ylethyl)pyrido[2,3-d]pyrimidin-7-one
CID 18375323
2-anilino-8-butylpyrido[2,3-d]pyrimidin-7-one
CID 5330228
8-ethyl-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-one
CID 5330206
2-(3-iodoanilino)-8-propylpyrido[2,3-d]pyrimidin-7-one
CID 10294727
2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(2-phenylethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 18375026
8-ethyl-2-(4-pyrrol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 5330218
2-(3,4-dimethoxyanilino)-8-pentylpyrido[2,3-d]pyrimidin-7-one
CID 70112013
2-(benzylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one
CID 5330204

Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-anilino-8-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one (CID 18374812) is 2-anilino-8-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-anilino-8-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-anilino-8-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one is COc1cc(Cn2c(=O)ccc3cnc(Nc4ccccc4)nc32)cc(OC)c1.
What is the InChIKey of 2-anilino-8-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is HNSULVLPBSSIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-28-18-10-15(11-19(12-18)29-2)14-26-20(27)9-8-16-13-23-22(25-21(16)26)24-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,23,24,25).
What are the key properties of 2-anilino-8-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one?
2-anilino-8-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 388.43 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 18374812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).