4'-chloro-10'-(4-oxopiperidin-1-yl)spiro[cyclohexane-1,7'-indolo[1,2-a]quinazoline]-5'-one

C25H24ClN3O2 — CID 171104445

IUPAC4'-chloro-10'-(4-oxopiperidin-1-yl)spiro[cyclohexane-1,7'-indolo[1,2-a]quinazoline]-5'-one
SMILESO=C1CCN(c2ccc3c(c2)-n2c(nc(=O)c4c(Cl)cccc42)C32CCCCC2)CC1
InChIInChI=1S/C25H24ClN3O2/c26-19-5-4-6-20-22(19)23(31)27-24-25(11-2-1-3-12-25)18-8-7-16(15-21(18)29(20)24)28-13-9-17(30)10-14-28/h4-8,15H,1-3,9-14H2
InChIKeyKFDDORULASMXCA-UHFFFAOYSA-N
MW433.94 g/mol
LogP4.77
Rot. Bonds1

About 4'-chloro-10'-(4-oxopiperidin-1-yl)spiro[cyclohexane-1,7'-indolo[1,2-a]quinazoline]-5'-one

4'-chloro-10'-(4-oxopiperidin-1-yl)spiro[cyclohexane-1,7'-indolo[1,2-a]quinazoline]-5'-one (PubChem CID 171104445) has the molecular formula C25H24ClN3O2 and a molecular weight of 433.94 g/mol. Its IUPAC name is 4'-chloro-10'-(4-oxopiperidin-1-yl)spiro[cyclohexane-1,7'-indolo[1,2-a]quinazoline]-5'-one.

Molecular Properties

Compound Name4'-chloro-10'-(4-oxopiperidin-1-yl)spiro[cyclohexane-1,7'-indolo[1,2-a]quinazoline]-5'-one
PubChem CID171104445
Molecular FormulaC25H24ClN3O2
Molecular Weight433.94 g/mol
Exact Mass433.16
IUPAC Name4'-chloro-10'-(4-oxopiperidin-1-yl)spiro[cyclohexane-1,7'-indolo[1,2-a]quinazoline]-5'-one
SMILESO=C1CCN(c2ccc3c(c2)-n2c(nc(=O)c4c(Cl)cccc42)C32CCCCC2)CC1
InChIInChI=1S/C25H24ClN3O2/c26-19-5-4-6-20-22(19)23(31)27-24-25(11-2-1-3-12-25)18-8-7-16(15-21(18)29(20)24)28-13-9-17(30)10-14-28/h4-8,15H,1-3,9-14H2
InChIKeyKFDDORULASMXCA-UHFFFAOYSA-N
XLogP4.77
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4'-chloro-10'-(4-oxopiperidin-1-yl)spiro[cyclohexane-1,7'-indolo[1,2-a]quinazoline]-5'-one?
The IUPAC name of 4'-chloro-10'-(4-oxopiperidin-1-yl)spiro[cyclohexane-1,7'-indolo[1,2-a]quinazoline]-5'-one (CID 171104445) is 4'-chloro-10'-(4-oxopiperidin-1-yl)spiro[cyclohexane-1,7'-indolo[1,2-a]quinazoline]-5'-one.
What is the SMILES notation for 4'-chloro-10'-(4-oxopiperidin-1-yl)spiro[cyclohexane-1,7'-indolo[1,2-a]quinazoline]-5'-one?
The canonical SMILES for 4'-chloro-10'-(4-oxopiperidin-1-yl)spiro[cyclohexane-1,7'-indolo[1,2-a]quinazoline]-5'-one is O=C1CCN(c2ccc3c(c2)-n2c(nc(=O)c4c(Cl)cccc42)C32CCCCC2)CC1.
What is the InChIKey of 4'-chloro-10'-(4-oxopiperidin-1-yl)spiro[cyclohexane-1,7'-indolo[1,2-a]quinazoline]-5'-one?
The InChIKey is KFDDORULASMXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O2/c26-19-5-4-6-20-22(19)23(31)27-24-25(11-2-1-3-12-25)18-8-7-16(15-21(18)29(20)24)28-13-9-17(30)10-14-28/h4-8,15H,1-3,9-14H2.
What are the key properties of 4'-chloro-10'-(4-oxopiperidin-1-yl)spiro[cyclohexane-1,7'-indolo[1,2-a]quinazoline]-5'-one?
4'-chloro-10'-(4-oxopiperidin-1-yl)spiro[cyclohexane-1,7'-indolo[1,2-a]quinazoline]-5'-one has a molecular weight of 433.94 g/mol, XLogP of 4.77, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-chloro-10'-(4-oxopiperidin-1-yl)spiro[cyclohexane-1,7'-indolo[1,2-a]quinazoline]-5'-one is sourced from PubChem (CID 171104445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).