CID 110212601

C24H25N3O4 — CID 110212601

IUPAC—
SMILESCOc1ccc2c(c1)NC1(COC3(CCN(C(=O)c4ccco4)CC3)C1)c1cccn1-2
InChIInChI=1S/C24H25N3O4/c1-29-17-6-7-19-18(14-17)25-24(21-5-2-10-27(19)21)15-23(31-16-24)8-11-26(12-9-23)22(28)20-4-3-13-30-20/h2-7,10,13-14,25H,8-9,11-12,15-16H2,1H3
InChIKeyKPXAYPDWLPWCOB-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.80
Rot. Bonds2

About CID 110212601

CID 110212601 (PubChem CID 110212601) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol.

Molecular Properties

Compound NameCID 110212601
PubChem CID110212601
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name—
SMILESCOc1ccc2c(c1)NC1(COC3(CCN(C(=O)c4ccco4)CC3)C1)c1cccn1-2
InChIInChI=1S/C24H25N3O4/c1-29-17-6-7-19-18(14-17)25-24(21-5-2-10-27(19)21)15-23(31-16-24)8-11-26(12-9-23)22(28)20-4-3-13-30-20/h2-7,10,13-14,25H,8-9,11-12,15-16H2,1H3
InChIKeyKPXAYPDWLPWCOB-UHFFFAOYSA-N
XLogP3.80
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 95794206
CID 95794206
CID 95794222
CID 95794222
(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(furan-2-yl)methanone
CID 53025862
CID 110212622
CID 110212622
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
CID 95794123
CID 95794123
(4-chlorophenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53058100
(3-fluoro-4-methylphenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53058114
cyclopentyl-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53058204
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 110212601?
The IUPAC name of CID 110212601 (CID 110212601) is not available.
What is the SMILES notation for CID 110212601?
The canonical SMILES for CID 110212601 is COc1ccc2c(c1)NC1(COC3(CCN(C(=O)c4ccco4)CC3)C1)c1cccn1-2.
What is the InChIKey of CID 110212601?
The InChIKey is KPXAYPDWLPWCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-29-17-6-7-19-18(14-17)25-24(21-5-2-10-27(19)21)15-23(31-16-24)8-11-26(12-9-23)22(28)20-4-3-13-30-20/h2-7,10,13-14,25H,8-9,11-12,15-16H2,1H3.
What are the key properties of CID 110212601?
CID 110212601 has a molecular weight of 419.48 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 110212601 is sourced from PubChem (CID 110212601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).