CID 110211848

C22H28ClN3O3 — CID 110211848

IUPAC—
SMILESO=C1NC2(COC3(CCN(C(=O)C4CCCCC4)CC3)C2)Nc2ccc(Cl)cc21
InChIInChI=1S/C22H28ClN3O3/c23-16-6-7-18-17(12-16)19(27)25-22(24-18)13-21(29-14-22)8-10-26(11-9-21)20(28)15-4-2-1-3-5-15/h6-7,12,15,24H,1-5,8-11,13-14H2,(H,25,27)
InChIKeyFMPWFBOTFHVTHP-UHFFFAOYSA-N
MW417.94 g/mol
LogP3.55
Rot. Bonds1

About CID 110211848

CID 110211848 (PubChem CID 110211848) has the molecular formula C22H28ClN3O3 and a molecular weight of 417.94 g/mol.

Molecular Properties

Compound NameCID 110211848
PubChem CID110211848
Molecular FormulaC22H28ClN3O3
Molecular Weight417.94 g/mol
Exact Mass417.18
IUPAC Name—
SMILESO=C1NC2(COC3(CCN(C(=O)C4CCCCC4)CC3)C2)Nc2ccc(Cl)cc21
InChIInChI=1S/C22H28ClN3O3/c23-16-6-7-18-17(12-16)19(27)25-22(24-18)13-21(29-14-22)8-10-26(11-9-21)20(28)15-4-2-1-3-5-15/h6-7,12,15,24H,1-5,8-11,13-14H2,(H,25,27)
InChIKeyFMPWFBOTFHVTHP-UHFFFAOYSA-N
XLogP3.55
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze CID 110211848 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

CID 110211858
CID 110211858
CID 110211760
CID 110211760
CID 110211869
CID 110211869
CID 110211878
CID 110211878
CID 110211884
CID 110211884
CID 110211756
CID 110211756
CID 95792521
CID 95792521
6-chloro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875396
CID 110211750
CID 110211750
6-chloro-1'-(naphthalene-1-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875407
1'-(cyclopentanecarbonyl)spiro[2,4-dihydro-1,4-benzoxazepine-3,4'-piperidine]-5-one
CID 134795741
CID 95792549
CID 95792549

Frequently Asked Questions

What is the IUPAC name of CID 110211848?
The IUPAC name of CID 110211848 (CID 110211848) is not available.
What is the SMILES notation for CID 110211848?
The canonical SMILES for CID 110211848 is O=C1NC2(COC3(CCN(C(=O)C4CCCCC4)CC3)C2)Nc2ccc(Cl)cc21.
What is the InChIKey of CID 110211848?
The InChIKey is FMPWFBOTFHVTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O3/c23-16-6-7-18-17(12-16)19(27)25-22(24-18)13-21(29-14-22)8-10-26(11-9-21)20(28)15-4-2-1-3-5-15/h6-7,12,15,24H,1-5,8-11,13-14H2,(H,25,27).
What are the key properties of CID 110211848?
CID 110211848 has a molecular weight of 417.94 g/mol, XLogP of 3.55, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 110211848 is sourced from PubChem (CID 110211848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).