2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,4'-oxane]-8-carboxamide

C22H24ClN3O2 — CID 148774314

IUPAC2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,4'-oxane]-8-carboxamide
SMILESCNC(=O)c1cccc2c1N/C(=N\Cc1cccc(Cl)c1)C1(CCOCC1)C2
InChIInChI=1S/C22H24ClN3O2/c1-24-20(27)18-7-3-5-16-13-22(8-10-28-11-9-22)21(26-19(16)18)25-14-15-4-2-6-17(23)12-15/h2-7,12H,8-11,13-14H2,1H3,(H,24,27)(H,25,26)
InChIKeyOJAOIRMTHBLMKI-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.06
Rot. Bonds3

About 2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,4'-oxane]-8-carboxamide

2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,4'-oxane]-8-carboxamide (PubChem CID 148774314) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,4'-oxane]-8-carboxamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,4'-oxane]-8-carboxamide
PubChem CID148774314
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,4'-oxane]-8-carboxamide
SMILESCNC(=O)c1cccc2c1N/C(=N\Cc1cccc(Cl)c1)C1(CCOCC1)C2
InChIInChI=1S/C22H24ClN3O2/c1-24-20(27)18-7-3-5-16-13-22(8-10-28-11-9-22)21(26-19(16)18)25-14-15-4-2-6-17(23)12-15/h2-7,12H,8-11,13-14H2,1H3,(H,24,27)(H,25,26)
InChIKeyOJAOIRMTHBLMKI-UHFFFAOYSA-N
XLogP4.06
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,4'-thiane]-8-carboxamide
CID 157117921
2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-5-carboxamide
CID 149117692
N-methyl-2-[(spiro[1,4-dihydroquinoline-3,4'-oxane]-2-ylideneamino)methyl]benzamide
CID 153182010
2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,4'-oxane]-5,8-dicarbonitrile
CID 148541154
2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,4'-thiane]-6-carboxamide
CID 147750690
N-[(3-chlorophenyl)methyl]-7-fluorospiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine
CID 148501909
2-[(3-chlorophenyl)methylimino]-N,N-dimethylspiro[1,4-dihydroquinoline-3,4'-oxane]-7-amine
CID 147013778
N-[(3-chlorophenyl)methyl]-7-isocyanospiro[1,4-dihydroquinoline-3,4'-oxane]-2-imine
CID 147162987
N-[(3-chlorophenyl)methyl]-8-fluorospiro[1,4-dihydroquinoline-3,4'-thiane]-2-imine
CID 147458677
N-[8-acetamido-3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-5-yl]acetamide
CID 137105329
N-[3-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoxaline-2,4'-oxane]-5-yl]acetamide
CID 137104943
6,8-dichloro-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine
CID 158923065

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,4'-oxane]-8-carboxamide?
The IUPAC name of 2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,4'-oxane]-8-carboxamide (CID 148774314) is 2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,4'-oxane]-8-carboxamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,4'-oxane]-8-carboxamide?
The canonical SMILES for 2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,4'-oxane]-8-carboxamide is CNC(=O)c1cccc2c1N/C(=N\Cc1cccc(Cl)c1)C1(CCOCC1)C2.
What is the InChIKey of 2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,4'-oxane]-8-carboxamide?
The InChIKey is OJAOIRMTHBLMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-24-20(27)18-7-3-5-16-13-22(8-10-28-11-9-22)21(26-19(16)18)25-14-15-4-2-6-17(23)12-15/h2-7,12H,8-11,13-14H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,4'-oxane]-8-carboxamide?
2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,4'-oxane]-8-carboxamide has a molecular weight of 397.91 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,4'-oxane]-8-carboxamide is sourced from PubChem (CID 148774314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).