5-chloro-1'-(2-methylpropyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

C16H22ClN3O — CID 42875661

IUPAC5-chloro-1'-(2-methylpropyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESCC(C)CN1CCC2(CC1)NC(=O)c1c(Cl)cccc1N2
InChIInChI=1S/C16H22ClN3O/c1-11(2)10-20-8-6-16(7-9-20)18-13-5-3-4-12(17)14(13)15(21)19-16/h3-5,11,18H,6-10H2,1-2H3,(H,19,21)
InChIKeyHEGORAKELHVPJD-UHFFFAOYSA-N
MW307.82 g/mol
LogP2.94
Rot. Bonds2

About 5-chloro-1'-(2-methylpropyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

5-chloro-1'-(2-methylpropyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (PubChem CID 42875661) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is 5-chloro-1'-(2-methylpropyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name5-chloro-1'-(2-methylpropyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
PubChem CID42875661
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name5-chloro-1'-(2-methylpropyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESCC(C)CN1CCC2(CC1)NC(=O)c1c(Cl)cccc1N2
InChIInChI=1S/C16H22ClN3O/c1-11(2)10-20-8-6-16(7-9-20)18-13-5-3-4-12(17)14(13)15(21)19-16/h3-5,11,18H,6-10H2,1-2H3,(H,19,21)
InChIKeyHEGORAKELHVPJD-UHFFFAOYSA-N
XLogP2.94
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-chloro-1'-(2-methylpropyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-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-chloro-1'-(2-methylpropyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The IUPAC name of 5-chloro-1'-(2-methylpropyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (CID 42875661) is 5-chloro-1'-(2-methylpropyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.
What is the SMILES notation for 5-chloro-1'-(2-methylpropyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The canonical SMILES for 5-chloro-1'-(2-methylpropyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is CC(C)CN1CCC2(CC1)NC(=O)c1c(Cl)cccc1N2.
What is the InChIKey of 5-chloro-1'-(2-methylpropyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The InChIKey is HEGORAKELHVPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-11(2)10-20-8-6-16(7-9-20)18-13-5-3-4-12(17)14(13)15(21)19-16/h3-5,11,18H,6-10H2,1-2H3,(H,19,21).
What are the key properties of 5-chloro-1'-(2-methylpropyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
5-chloro-1'-(2-methylpropyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one has a molecular weight of 307.82 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1'-(2-methylpropyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is sourced from PubChem (CID 42875661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).