7-fluoro-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one

C23H26FN3O2 — CID 11596368

IUPAC7-fluoro-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
SMILESCc1nc2cc(F)ccc2c(=O)n1-c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C23H26FN3O2/c1-17-25-22-16-18(24)6-11-21(22)23(28)27(17)19-7-9-20(10-8-19)29-15-5-14-26-12-3-2-4-13-26/h6-11,16H,2-5,12-15H2,1H3
InChIKeyACZTVULZGKRMQD-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.09
Rot. Bonds6

About 7-fluoro-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one

7-fluoro-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one (PubChem CID 11596368) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 7-fluoro-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one.

Molecular Properties

Compound Name7-fluoro-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
PubChem CID11596368
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name7-fluoro-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
SMILESCc1nc2cc(F)ccc2c(=O)n1-c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C23H26FN3O2/c1-17-25-22-16-18(24)6-11-21(22)23(28)27(17)19-7-9-20(10-8-19)29-15-5-14-26-12-3-2-4-13-26/h6-11,16H,2-5,12-15H2,1H3
InChIKeyACZTVULZGKRMQD-UHFFFAOYSA-N
XLogP4.09
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 7-fluoro-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one?
The IUPAC name of 7-fluoro-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one (CID 11596368) is 7-fluoro-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one.
What is the SMILES notation for 7-fluoro-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one?
The canonical SMILES for 7-fluoro-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one is Cc1nc2cc(F)ccc2c(=O)n1-c1ccc(OCCCN2CCCCC2)cc1.
What is the InChIKey of 7-fluoro-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one?
The InChIKey is ACZTVULZGKRMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-17-25-22-16-18(24)6-11-21(22)23(28)27(17)19-7-9-20(10-8-19)29-15-5-14-26-12-3-2-4-13-26/h6-11,16H,2-5,12-15H2,1H3.
What are the key properties of 7-fluoro-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one?
7-fluoro-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one has a molecular weight of 395.48 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one is sourced from PubChem (CID 11596368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).