5-methoxy-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one

C23H27N3O3 — CID 24951193

IUPAC5-methoxy-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one
SMILESCOc1cccc2nc(C)n(-c3ccc(OCCCN4CCCC4)cc3)c(=O)c12
InChIInChI=1S/C23H27N3O3/c1-17-24-20-7-5-8-21(28-2)22(20)23(27)26(17)18-9-11-19(12-10-18)29-16-6-15-25-13-3-4-14-25/h5,7-12H,3-4,6,13-16H2,1-2H3
InChIKeyZPPSMSQFRIDOED-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.57
Rot. Bonds7

About 5-methoxy-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one

5-methoxy-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one (PubChem CID 24951193) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 5-methoxy-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one.

Molecular Properties

Compound Name5-methoxy-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one
PubChem CID24951193
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name5-methoxy-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one
SMILESCOc1cccc2nc(C)n(-c3ccc(OCCCN4CCCC4)cc3)c(=O)c12
InChIInChI=1S/C23H27N3O3/c1-17-24-20-7-5-8-21(28-2)22(20)23(27)26(17)18-9-11-19(12-10-18)29-16-6-15-25-13-3-4-14-25/h5,7-12H,3-4,6,13-16H2,1-2H3
InChIKeyZPPSMSQFRIDOED-UHFFFAOYSA-N
XLogP3.57
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.57
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

Mk-0249
CID 11697697
2-{2-[3-(4-Methoxyphenyl)-4-Oxo-3,4-Dihydroquinazolin-2-Yl]ethyl}-4-(Propan-2-Yloxy)-1h-Isoindole-1,3(2h)-Dione
CID 49821931
2-Ethyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone
CID 11516387
2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-5-methoxy-3-methylquinazolin-4(3H)-one
CID 11517341
3-methyl-2-(4-(3-(pyrrolidin-1-yl)propoxy)phenyl)quinazolin-4(3H)-one
CID 11581337
5-Chloro-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone
CID 11596426
2,5-Dimethyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone
CID 11667985
5-Fluoro-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone
CID 11675333
3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-5-fluoro-2-methyl-4(3H)-quinazolinone
CID 23151209
3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-8-fluoro-2-methyl-4(3H)-quinazolinone
CID 23151210
6-Methoxy-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone
CID 23151224
3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-6,7-difluoro-2-methyl-4(3H)-quinazolinone
CID 23151246

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one?
The IUPAC name of 5-methoxy-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one (CID 24951193) is 5-methoxy-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one.
What is the SMILES notation for 5-methoxy-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one?
The canonical SMILES for 5-methoxy-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one is COc1cccc2nc(C)n(-c3ccc(OCCCN4CCCC4)cc3)c(=O)c12.
What is the InChIKey of 5-methoxy-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one?
The InChIKey is ZPPSMSQFRIDOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-17-24-20-7-5-8-21(28-2)22(20)23(27)26(17)18-9-11-19(12-10-18)29-16-6-15-25-13-3-4-14-25/h5,7-12H,3-4,6,13-16H2,1-2H3.
What are the key properties of 5-methoxy-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one?
5-methoxy-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one has a molecular weight of 393.49 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one is sourced from PubChem (CID 24951193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).