5-cyclobutyl-7-methoxy-2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one

C28H35N5O3 — CID 45267536

IUPAC5-cyclobutyl-7-methoxy-2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one
SMILESCOc1cc(C2CCC2)c2c(=O)oc(-c3cccnc3N3CCN(C4CCN(C)CC4)CC3)nc2c1
InChIInChI=1S/C28H35N5O3/c1-31-11-8-20(9-12-31)32-13-15-33(16-14-32)26-22(7-4-10-29-26)27-30-24-18-21(35-2)17-23(19-5-3-6-19)25(24)28(34)36-27/h4,7,10,17-20H,3,5-6,8-9,11-16H2,1-2H3
InChIKeyCFOAWNKMMBOXJJ-UHFFFAOYSA-N
MW489.62 g/mol
LogP3.74
Rot. Bonds5

About 5-cyclobutyl-7-methoxy-2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one

5-cyclobutyl-7-methoxy-2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one (PubChem CID 45267536) has the molecular formula C28H35N5O3 and a molecular weight of 489.62 g/mol. Its IUPAC name is 5-cyclobutyl-7-methoxy-2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name5-cyclobutyl-7-methoxy-2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one
PubChem CID45267536
Molecular FormulaC28H35N5O3
Molecular Weight489.62 g/mol
Exact Mass489.27
IUPAC Name5-cyclobutyl-7-methoxy-2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one
SMILESCOc1cc(C2CCC2)c2c(=O)oc(-c3cccnc3N3CCN(C4CCN(C)CC4)CC3)nc2c1
InChIInChI=1S/C28H35N5O3/c1-31-11-8-20(9-12-31)32-13-15-33(16-14-32)26-22(7-4-10-29-26)27-30-24-18-21(35-2)17-23(19-5-3-6-19)25(24)28(34)36-27/h4,7,10,17-20H,3,5-6,8-9,11-16H2,1-2H3
InChIKeyCFOAWNKMMBOXJJ-UHFFFAOYSA-N
XLogP3.74
TPSA74.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-cyclobutyl-7-methoxy-2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-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

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-7-methoxy-2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one?
The IUPAC name of 5-cyclobutyl-7-methoxy-2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one (CID 45267536) is 5-cyclobutyl-7-methoxy-2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one.
What is the SMILES notation for 5-cyclobutyl-7-methoxy-2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one?
The canonical SMILES for 5-cyclobutyl-7-methoxy-2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one is COc1cc(C2CCC2)c2c(=O)oc(-c3cccnc3N3CCN(C4CCN(C)CC4)CC3)nc2c1.
What is the InChIKey of 5-cyclobutyl-7-methoxy-2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one?
The InChIKey is CFOAWNKMMBOXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O3/c1-31-11-8-20(9-12-31)32-13-15-33(16-14-32)26-22(7-4-10-29-26)27-30-24-18-21(35-2)17-23(19-5-3-6-19)25(24)28(34)36-27/h4,7,10,17-20H,3,5-6,8-9,11-16H2,1-2H3.
What are the key properties of 5-cyclobutyl-7-methoxy-2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one?
5-cyclobutyl-7-methoxy-2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one has a molecular weight of 489.62 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-7-methoxy-2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one is sourced from PubChem (CID 45267536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).