8-ethyl-2-[4-(2-methoxyethoxy)anilino]pyrido[2,3-d]pyrimidin-7-one

C18H20N4O3 — CID 5330215

IUPAC8-ethyl-2-[4-(2-methoxyethoxy)anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)ccc2cnc(Nc3ccc(OCCOC)cc3)nc21
InChIInChI=1S/C18H20N4O3/c1-3-22-16(23)9-4-13-12-19-18(21-17(13)22)20-14-5-7-15(8-6-14)25-11-10-24-2/h4-9,12H,3,10-11H2,1-2H3,(H,19,20,21)
InChIKeyMQTLLTKZDOQNDH-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.58
Rot. Bonds7

About 8-ethyl-2-[4-(2-methoxyethoxy)anilino]pyrido[2,3-d]pyrimidin-7-one

8-ethyl-2-[4-(2-methoxyethoxy)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330215) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 8-ethyl-2-[4-(2-methoxyethoxy)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-ethyl-2-[4-(2-methoxyethoxy)anilino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID5330215
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name8-ethyl-2-[4-(2-methoxyethoxy)anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)ccc2cnc(Nc3ccc(OCCOC)cc3)nc21
InChIInChI=1S/C18H20N4O3/c1-3-22-16(23)9-4-13-12-19-18(21-17(13)22)20-14-5-7-15(8-6-14)25-11-10-24-2/h4-9,12H,3,10-11H2,1-2H3,(H,19,20,21)
InChIKeyMQTLLTKZDOQNDH-UHFFFAOYSA-N
XLogP2.58
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Spebrutinib
CID 59174488
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 58
CID 5330244
5-fluoro-N,N'-bis(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 802942
5-bromo-2-N-{4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl}-4-N-phenylpyrimidine-2,4-diamine
CID 3496894
Pyrido[2,3-d]pyrimidin-7-one deriv. 28
CID 5328641
Pyrido[2,3-d]pyrimidin-7-one deriv. 29
CID 5328642
2-(4-(2-diethylaminoethoxy)phenylamino)-8-ethyl-6-phenyl-8H-pyrido(2,3-d)pyrimidin-7-one
CID 5328650
8-ethyl-2-{[3-(1,1,2,2-tetrafluoroethoxy)phenyl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330209
8-ethyl-2-(4-methoxyphenylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330211
8-ethyl-2-(4-hydroxyphenylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330212
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 30
CID 5330216
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 57
CID 5330243

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-[4-(2-methoxyethoxy)anilino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-ethyl-2-[4-(2-methoxyethoxy)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 5330215) is 8-ethyl-2-[4-(2-methoxyethoxy)anilino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-ethyl-2-[4-(2-methoxyethoxy)anilino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-ethyl-2-[4-(2-methoxyethoxy)anilino]pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)ccc2cnc(Nc3ccc(OCCOC)cc3)nc21.
What is the InChIKey of 8-ethyl-2-[4-(2-methoxyethoxy)anilino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is MQTLLTKZDOQNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-3-22-16(23)9-4-13-12-19-18(21-17(13)22)20-14-5-7-15(8-6-14)25-11-10-24-2/h4-9,12H,3,10-11H2,1-2H3,(H,19,20,21).
What are the key properties of 8-ethyl-2-[4-(2-methoxyethoxy)anilino]pyrido[2,3-d]pyrimidin-7-one?
8-ethyl-2-[4-(2-methoxyethoxy)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 340.38 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-[4-(2-methoxyethoxy)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).