5-chloro-3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one

C24H26ClN3O2 — CID 23151229

IUPAC5-chloro-3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one
SMILESCc1nc2cccc(Cl)c2c(=O)n1-c1ccc(OC2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C24H26ClN3O2/c1-16-26-22-7-3-6-21(25)23(22)24(29)28(16)18-8-10-19(11-9-18)30-20-12-14-27(15-13-20)17-4-2-5-17/h3,6-11,17,20H,2,4-5,12-15H2,1H3
InChIKeyZPIMWSOPZFAUBE-UHFFFAOYSA-N
MW423.94 g/mol
LogP4.74
Rot. Bonds4

About 5-chloro-3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one

5-chloro-3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one (PubChem CID 23151229) has the molecular formula C24H26ClN3O2 and a molecular weight of 423.94 g/mol. Its IUPAC name is 5-chloro-3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name5-chloro-3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one
PubChem CID23151229
Molecular FormulaC24H26ClN3O2
Molecular Weight423.94 g/mol
Exact Mass423.17
IUPAC Name5-chloro-3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one
SMILESCc1nc2cccc(Cl)c2c(=O)n1-c1ccc(OC2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C24H26ClN3O2/c1-16-26-22-7-3-6-21(25)23(22)24(29)28(16)18-8-10-19(11-9-18)30-20-12-14-27(15-13-20)17-4-2-5-17/h3,6-11,17,20H,2,4-5,12-15H2,1H3
InChIKeyZPIMWSOPZFAUBE-UHFFFAOYSA-N
XLogP4.74
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.94
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-chloro-3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

MK-3134
CID 11973780
2-Ethyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone
CID 11516387
5-Chloro-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone
CID 11596426
8-chloro-2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-3-methylquinazolin-4(3H)-one
CID 11618702
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
3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-6,7-difluoro-2-methyl-4(3H)-quinazolinone
CID 23151246
8-Fluoro-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone
CID 23151331
3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-2,5-dimethyl-4(3H)-quinazolinone
CID 23151367
2-Methyl-3-[4-({3-[(3S)-3-methyl-1-piperidinyl]propyl}oxy)phenyl]-4(3H)-quinazolinone
CID 24951038
2-Isopropyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone
CID 24948945

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one?
The IUPAC name of 5-chloro-3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one (CID 23151229) is 5-chloro-3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one.
What is the SMILES notation for 5-chloro-3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one?
The canonical SMILES for 5-chloro-3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one is Cc1nc2cccc(Cl)c2c(=O)n1-c1ccc(OC2CCN(C3CCC3)CC2)cc1.
What is the InChIKey of 5-chloro-3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one?
The InChIKey is ZPIMWSOPZFAUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O2/c1-16-26-22-7-3-6-21(25)23(22)24(29)28(16)18-8-10-19(11-9-18)30-20-12-14-27(15-13-20)17-4-2-5-17/h3,6-11,17,20H,2,4-5,12-15H2,1H3.
What are the key properties of 5-chloro-3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one?
5-chloro-3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one has a molecular weight of 423.94 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one is sourced from PubChem (CID 23151229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).