CID 95794206

C25H33N3O3 — CID 95794206

IUPAC—
SMILESCCC(CC)C(=O)N1CCC2(CC1)C[C@@]1(CO2)Nc2cc(OC)ccc2-n2cccc21
InChIInChI=1S/C25H33N3O3/c1-4-18(5-2)23(29)27-13-10-24(11-14-27)16-25(17-31-24)22-7-6-12-28(22)21-9-8-19(30-3)15-20(21)26-25/h6-9,12,15,18,26H,4-5,10-11,13-14,16-17H2,1-3H3/t25-/m0/s1
InChIKeyYLOQTVOPCREIFU-VWLOTQADSA-N
MW423.56 g/mol
LogP4.32
Rot. Bonds4

About CID 95794206

CID 95794206 (PubChem CID 95794206) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol.

Molecular Properties

Compound NameCID 95794206
PubChem CID95794206
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name—
SMILESCCC(CC)C(=O)N1CCC2(CC1)C[C@@]1(CO2)Nc2cc(OC)ccc2-n2cccc21
InChIInChI=1S/C25H33N3O3/c1-4-18(5-2)23(29)27-13-10-24(11-14-27)16-25(17-31-24)22-7-6-12-28(22)21-9-8-19(30-3)15-20(21)26-25/h6-9,12,15,18,26H,4-5,10-11,13-14,16-17H2,1-3H3/t25-/m0/s1
InChIKeyYLOQTVOPCREIFU-VWLOTQADSA-N
XLogP4.32
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 110212601
CID 110212601
CID 95794222
CID 95794222
CID 110212525
CID 110212525
CID 110212622
CID 110212622
CID 95794123
CID 95794123
CID 95794118
CID 95794118
CID 110212532
CID 110212532
1-[4-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)phenyl]ethanone
CID 70814248
CID 95794161
CID 95794161
cyclopentyl-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53058204
(4-chlorophenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53058100
7-methoxy-N-(2-methoxyphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53210511

Frequently Asked Questions

What is the IUPAC name of CID 95794206?
The IUPAC name of CID 95794206 (CID 95794206) is not available.
What is the SMILES notation for CID 95794206?
The canonical SMILES for CID 95794206 is CCC(CC)C(=O)N1CCC2(CC1)C[C@@]1(CO2)Nc2cc(OC)ccc2-n2cccc21.
What is the InChIKey of CID 95794206?
The InChIKey is YLOQTVOPCREIFU-VWLOTQADSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-4-18(5-2)23(29)27-13-10-24(11-14-27)16-25(17-31-24)22-7-6-12-28(22)21-9-8-19(30-3)15-20(21)26-25/h6-9,12,15,18,26H,4-5,10-11,13-14,16-17H2,1-3H3/t25-/m0/s1.
What are the key properties of CID 95794206?
CID 95794206 has a molecular weight of 423.56 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 95794206 is sourced from PubChem (CID 95794206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).