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

C24H26ClN3O2 — CID 11618702

IUPAC8-chloro-2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methylquinazolin-4-one
SMILESCn1c(-c2ccc(OC3CCN(C4CCC4)CC3)cc2)nc2c(Cl)cccc2c1=O
InChIInChI=1S/C24H26ClN3O2/c1-27-23(26-22-20(24(27)29)6-3-7-21(22)25)16-8-10-18(11-9-16)30-19-12-14-28(15-13-19)17-4-2-5-17/h3,6-11,17,19H,2,4-5,12-15H2,1H3
InChIKeyLMTYPQWFGWYHMH-UHFFFAOYSA-N
MW423.94 g/mol
LogP4.65
Rot. Bonds4

About 8-chloro-2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methylquinazolin-4-one

8-chloro-2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methylquinazolin-4-one (PubChem CID 11618702) has the molecular formula C24H26ClN3O2 and a molecular weight of 423.94 g/mol. Its IUPAC name is 8-chloro-2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name8-chloro-2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methylquinazolin-4-one
PubChem CID11618702
Molecular FormulaC24H26ClN3O2
Molecular Weight423.94 g/mol
Exact Mass423.17
IUPAC Name8-chloro-2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methylquinazolin-4-one
SMILESCn1c(-c2ccc(OC3CCN(C4CCC4)CC3)cc2)nc2c(Cl)cccc2c1=O
InChIInChI=1S/C24H26ClN3O2/c1-27-23(26-22-20(24(27)29)6-3-7-21(22)25)16-8-10-18(11-9-16)30-19-12-14-28(15-13-19)17-4-2-5-17/h3,6-11,17,19H,2,4-5,12-15H2,1H3
InChIKeyLMTYPQWFGWYHMH-UHFFFAOYSA-N
XLogP4.65
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 ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methylquinazolin-4-one?
The IUPAC name of 8-chloro-2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methylquinazolin-4-one (CID 11618702) is 8-chloro-2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methylquinazolin-4-one.
What is the SMILES notation for 8-chloro-2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methylquinazolin-4-one?
The canonical SMILES for 8-chloro-2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methylquinazolin-4-one is Cn1c(-c2ccc(OC3CCN(C4CCC4)CC3)cc2)nc2c(Cl)cccc2c1=O.
What is the InChIKey of 8-chloro-2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methylquinazolin-4-one?
The InChIKey is LMTYPQWFGWYHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O2/c1-27-23(26-22-20(24(27)29)6-3-7-21(22)25)16-8-10-18(11-9-16)30-19-12-14-28(15-13-19)17-4-2-5-17/h3,6-11,17,19H,2,4-5,12-15H2,1H3.
What are the key properties of 8-chloro-2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methylquinazolin-4-one?
8-chloro-2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methylquinazolin-4-one has a molecular weight of 423.94 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methylquinazolin-4-one is sourced from PubChem (CID 11618702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).