2-[3-[(3-chlorophenyl)methylimino]-7-[2-(dimethylamino)ethyl]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-6-yl]-N,N-dimethylethanamine

C27H38ClN5O — CID 137104712

IUPAC2-[3-[(3-chlorophenyl)methylimino]-7-[2-(dimethylamino)ethyl]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-6-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1cc2c(cc1CCN(C)C)NC1(CCOCC1)/C(=N/Cc1cccc(Cl)c1)N2
InChIInChI=1S/C27H38ClN5O/c1-32(2)12-8-21-17-24-25(18-22(21)9-13-33(3)4)31-27(10-14-34-15-11-27)26(30-24)29-19-20-6-5-7-23(28)16-20/h5-7,16-18,31H,8-15,19H2,1-4H3,(H,29,30)
InChIKeyGCNYYQPFCZFVLT-UHFFFAOYSA-N
MW484.09 g/mol
LogP4.53
Rot. Bonds8

About 2-[3-[(3-chlorophenyl)methylimino]-7-[2-(dimethylamino)ethyl]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-6-yl]-N,N-dimethylethanamine

2-[3-[(3-chlorophenyl)methylimino]-7-[2-(dimethylamino)ethyl]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-6-yl]-N,N-dimethylethanamine (PubChem CID 137104712) has the molecular formula C27H38ClN5O and a molecular weight of 484.09 g/mol. Its IUPAC name is 2-[3-[(3-chlorophenyl)methylimino]-7-[2-(dimethylamino)ethyl]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-6-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3-[(3-chlorophenyl)methylimino]-7-[2-(dimethylamino)ethyl]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-6-yl]-N,N-dimethylethanamine
PubChem CID137104712
Molecular FormulaC27H38ClN5O
Molecular Weight484.09 g/mol
Exact Mass483.28
IUPAC Name2-[3-[(3-chlorophenyl)methylimino]-7-[2-(dimethylamino)ethyl]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-6-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1cc2c(cc1CCN(C)C)NC1(CCOCC1)/C(=N/Cc1cccc(Cl)c1)N2
InChIInChI=1S/C27H38ClN5O/c1-32(2)12-8-21-17-24-25(18-22(21)9-13-33(3)4)31-27(10-14-34-15-11-27)26(30-24)29-19-20-6-5-7-23(28)16-20/h5-7,16-18,31H,8-15,19H2,1-4H3,(H,29,30)
InChIKeyGCNYYQPFCZFVLT-UHFFFAOYSA-N
XLogP4.53
TPSA52.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.09
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[3-[(3-chlorophenyl)methylimino]-7-[2-(dimethylamino)ethyl]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-6-yl]-N,N-dimethylethanamine 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

3-[(3-chlorophenyl)methylimino]-6-N,6-N,7-N,7-N-tetramethylspiro[1,4-dihydroquinoxaline-2,4'-oxane]-6,7-diamine
CID 137105334
3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-6,7-dicarboxamide
CID 137105335
N-[(3-chlorophenyl)methyl]-5-(2-methoxyethyl)spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
CID 137105496
N-[(3-chlorophenyl)methyl]-6,7-dimethylspiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-imine
CID 137105099
6,7-dichloro-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-imine
CID 137032040
2-[3-[(3-chlorophenyl)methylimino]-7-[2-(dimethylamino)ethyl]-1,1-dimethylspiro[4H-quinoxalin-1-ium-2,4'-thiane]-6-yl]-N,N-dimethylethanamine
CID 137095554
N-[(3-chlorophenyl)methyl]-5-prop-2-enylspiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
CID 137146247
N-[3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-5-yl]acetamide
CID 137104943
2-[3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-cyclohexane]-1'-yl]oxy-N,N-dimethylethanamine
CID 137060983
1-[3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-cyclohexane]-1'-yl]-N,N-dimethylmethanamine
CID 137105381
6,7-dibromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
CID 137105442
N-[(3-chlorophenyl)methyl]-6,7-dimethoxyspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
CID 137105266

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-chlorophenyl)methylimino]-7-[2-(dimethylamino)ethyl]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-6-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[3-[(3-chlorophenyl)methylimino]-7-[2-(dimethylamino)ethyl]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-6-yl]-N,N-dimethylethanamine (CID 137104712) is 2-[3-[(3-chlorophenyl)methylimino]-7-[2-(dimethylamino)ethyl]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-6-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3-[(3-chlorophenyl)methylimino]-7-[2-(dimethylamino)ethyl]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-6-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[3-[(3-chlorophenyl)methylimino]-7-[2-(dimethylamino)ethyl]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-6-yl]-N,N-dimethylethanamine is CN(C)CCc1cc2c(cc1CCN(C)C)NC1(CCOCC1)/C(=N/Cc1cccc(Cl)c1)N2.
What is the InChIKey of 2-[3-[(3-chlorophenyl)methylimino]-7-[2-(dimethylamino)ethyl]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-6-yl]-N,N-dimethylethanamine?
The InChIKey is GCNYYQPFCZFVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38ClN5O/c1-32(2)12-8-21-17-24-25(18-22(21)9-13-33(3)4)31-27(10-14-34-15-11-27)26(30-24)29-19-20-6-5-7-23(28)16-20/h5-7,16-18,31H,8-15,19H2,1-4H3,(H,29,30).
What are the key properties of 2-[3-[(3-chlorophenyl)methylimino]-7-[2-(dimethylamino)ethyl]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-6-yl]-N,N-dimethylethanamine?
2-[3-[(3-chlorophenyl)methylimino]-7-[2-(dimethylamino)ethyl]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-6-yl]-N,N-dimethylethanamine has a molecular weight of 484.09 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-chlorophenyl)methylimino]-7-[2-(dimethylamino)ethyl]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-6-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 137104712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).