CID 110212622

C24H28N6O3 — CID 110212622

IUPAC—
SMILESCOc1ccc2c(c1)NC1(COC3(CCN(C(=O)CCn4cncn4)CC3)C1)c1cccn1-2
InChIInChI=1S/C24H28N6O3/c1-32-18-4-5-20-19(13-18)27-24(21-3-2-9-30(20)21)14-23(33-15-24)7-11-28(12-8-23)22(31)6-10-29-17-25-16-26-29/h2-5,9,13,16-17,27H,6-8,10-12,14-15H2,1H3
InChIKeyHLMQUGSCILHTCV-UHFFFAOYSA-N
MW448.53 g/mol
LogP2.57
Rot. Bonds4

About CID 110212622

CID 110212622 (PubChem CID 110212622) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol.

Molecular Properties

Compound NameCID 110212622
PubChem CID110212622
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Name—
SMILESCOc1ccc2c(c1)NC1(COC3(CCN(C(=O)CCn4cncn4)CC3)C1)c1cccn1-2
InChIInChI=1S/C24H28N6O3/c1-32-18-4-5-20-19(13-18)27-24(21-3-2-9-30(20)21)14-23(33-15-24)7-11-28(12-8-23)22(31)6-10-29-17-25-16-26-29/h2-5,9,13,16-17,27H,6-8,10-12,14-15H2,1H3
InChIKeyHLMQUGSCILHTCV-UHFFFAOYSA-N
XLogP2.57
TPSA86.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze CID 110212622 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 95794206
CID 95794206
CID 95794222
CID 95794222
CID 110212601
CID 110212601
CID 110212532
CID 110212532
3-(benzotriazol-1-yl)-1-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)propan-1-one
CID 16674622
CID 95794123
CID 95794123
1-[4-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)phenyl]ethanone
CID 70814248
CID 95794161
CID 95794161
(4-chlorophenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53058100
7-methoxy-N-(3-methoxyphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53008766
1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 70743445
7-methoxy-N-(2-methoxy-5-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53030260

Frequently Asked Questions

What is the IUPAC name of CID 110212622?
The IUPAC name of CID 110212622 (CID 110212622) is not available.
What is the SMILES notation for CID 110212622?
The canonical SMILES for CID 110212622 is COc1ccc2c(c1)NC1(COC3(CCN(C(=O)CCn4cncn4)CC3)C1)c1cccn1-2.
What is the InChIKey of CID 110212622?
The InChIKey is HLMQUGSCILHTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-32-18-4-5-20-19(13-18)27-24(21-3-2-9-30(20)21)14-23(33-15-24)7-11-28(12-8-23)22(31)6-10-29-17-25-16-26-29/h2-5,9,13,16-17,27H,6-8,10-12,14-15H2,1H3.
What are the key properties of CID 110212622?
CID 110212622 has a molecular weight of 448.53 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 110212622 is sourced from PubChem (CID 110212622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).