3-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one

C20H22N4O2 — CID 141120864

IUPAC3-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one
SMILESO=c1c2cnccc2ncn1-c1cccc(OCCCN2CCCC2)c1
InChIInChI=1S/C20H22N4O2/c25-20-18-14-21-8-7-19(18)22-15-24(20)16-5-3-6-17(13-16)26-12-4-11-23-9-1-2-10-23/h3,5-8,13-15H,1-2,4,9-12H2
InChIKeyOMNKASUGTXSJMI-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.65
Rot. Bonds6

About 3-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one

3-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one (PubChem CID 141120864) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one
PubChem CID141120864
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name3-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one
SMILESO=c1c2cnccc2ncn1-c1cccc(OCCCN2CCCC2)c1
InChIInChI=1S/C20H22N4O2/c25-20-18-14-21-8-7-19(18)22-15-24(20)16-5-3-6-17(13-16)26-12-4-11-23-9-1-2-10-23/h3,5-8,13-15H,1-2,4,9-12H2
InChIKeyOMNKASUGTXSJMI-UHFFFAOYSA-N
XLogP2.65
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-fluoroethoxy)-4-(3-piperidin-1-ylpropoxy)phenyl]-2-methylpyrido[4,3-d]pyrimidin-4-one
CID 87677054
3-(3-pyrrolidin-1-ylpropoxy)phenol
CID 61494316
3-methyl-2-[2-methyl-4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 11625039
3-[2-(2-fluoroethoxy)-4-(3-piperidin-1-ylpropoxy)phenyl]-2-methylpyrido[3,4-d]pyrimidin-4-one
CID 87675182
2-methyl-5-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyridazin-3-one
CID 143618011
1-[3-(3-cyclopropylphenoxy)propyl]pyrrolidine
CID 91040173
3-(2-piperidin-1-ylethyl)pyrido[3,4-d]pyrimidin-4-one
CID 99841378
3-methyl-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrido[2,3-d]pyrimidin-4-one
CID 11617527
4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine
CID 155587886
3-[3-(azocan-1-yl)propoxy]benzonitrile
CID 43288881
2-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine
CID 54961021
1-[3-(3-methoxyphenoxy)propyl]azepane;oxalic acid
CID 2944095

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 3-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one (CID 141120864) is 3-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one is O=c1c2cnccc2ncn1-c1cccc(OCCCN2CCCC2)c1.
What is the InChIKey of 3-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is OMNKASUGTXSJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-20-18-14-21-8-7-19(18)22-15-24(20)16-5-3-6-17(13-16)26-12-4-11-23-9-1-2-10-23/h3,5-8,13-15H,1-2,4,9-12H2.
What are the key properties of 3-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one?
3-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 350.42 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 141120864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).