5-(3-aminopropoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one

C21H25N5O3 — CID 66959370

IUPAC5-(3-aminopropoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(OCCCN)c2c1=O
InChIInChI=1S/C21H25N5O3/c1-25-14-23-18-13-17(24-20(19(18)21(25)27)29-10-2-7-22)15-3-5-16(6-4-15)26-8-11-28-12-9-26/h3-6,13-14H,2,7-12,22H2,1H3
InChIKeyAXLONFJLIHMIEI-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.56
Rot. Bonds6

About 5-(3-aminopropoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one

5-(3-aminopropoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959370) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 5-(3-aminopropoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(3-aminopropoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
PubChem CID66959370
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name5-(3-aminopropoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(OCCCN)c2c1=O
InChIInChI=1S/C21H25N5O3/c1-25-14-23-18-13-17(24-20(19(18)21(25)27)29-10-2-7-22)15-3-5-16(6-4-15)26-8-11-28-12-9-26/h3-6,13-14H,2,7-12,22H2,1H3
InChIKeyAXLONFJLIHMIEI-UHFFFAOYSA-N
XLogP1.56
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(3-aminopropoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one (CID 66959370) is 5-(3-aminopropoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(3-aminopropoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(3-aminopropoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one is Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(OCCCN)c2c1=O.
What is the InChIKey of 5-(3-aminopropoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is AXLONFJLIHMIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-25-14-23-18-13-17(24-20(19(18)21(25)27)29-10-2-7-22)15-3-5-16(6-4-15)26-8-11-28-12-9-26/h3-6,13-14H,2,7-12,22H2,1H3.
What are the key properties of 5-(3-aminopropoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
5-(3-aminopropoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 395.46 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).