methyl 4,4-diphenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]-2-carboxylate

C25H23NO2 — CID 132594646

IUPACmethyl 4,4-diphenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]-2-carboxylate
SMILESCOC(=O)C1Nc2ccccc2C(c2ccccc2)(c2ccccc2)C12CC2
InChIInChI=1S/C25H23NO2/c1-28-23(27)22-24(16-17-24)25(18-10-4-2-5-11-18,19-12-6-3-7-13-19)20-14-8-9-15-21(20)26-22/h2-15,22,26H,16-17H2,1H3
InChIKeyAIMAWEBWSFGMAY-UHFFFAOYSA-N
MW369.46 g/mol
LogP4.77
Rot. Bonds3

About methyl 4,4-diphenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]-2-carboxylate

methyl 4,4-diphenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]-2-carboxylate (PubChem CID 132594646) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is methyl 4,4-diphenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]-2-carboxylate.

Molecular Properties

Compound Namemethyl 4,4-diphenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]-2-carboxylate
PubChem CID132594646
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Namemethyl 4,4-diphenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]-2-carboxylate
SMILESCOC(=O)C1Nc2ccccc2C(c2ccccc2)(c2ccccc2)C12CC2
InChIInChI=1S/C25H23NO2/c1-28-23(27)22-24(16-17-24)25(18-10-4-2-5-11-18,19-12-6-3-7-13-19)20-14-8-9-15-21(20)26-22/h2-15,22,26H,16-17H2,1H3
InChIKeyAIMAWEBWSFGMAY-UHFFFAOYSA-N
XLogP4.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 6-bromo-4-(4-methoxyphenyl)-4-phenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]-2-carboxylate
CID 101463972
methyl 9-phenyl-10H-acridine-9-carboxylate
CID 13466258
trans-dimethyl (1R,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylate
CID 882276
(1-phenylcyclopropyl) acetate
CID 121216912
methyl (2S)-3-acetyl-8b-fluoro-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole-2-carboxylate
CID 101146826
methyl (1R,2S,4S)-2-hydroxy-4-methyl-4-phenylcyclohexane-1-carboxylate
CID 98169124
3-methoxy-3-(pyridin-4-ylamino)-1,2-dihydroindole-2-carboxylic acid
CID 69008800
trans-methyl (1R,2R)-2-cyano-2-phenylcyclopropane-1-carboxylate
CID 15565151
methyl (1R,7R)-1-methoxy-7-phenylbicyclo[5.1.0]octane-8-carboxylate
CID 134907445
(2-oxo-3-phenyl-1H-indol-3-yl) acetate
CID 132917487
dimethyl 5,5-diphenylpyrrolidine-2,4-dicarboxylate
CID 134612623
4-hydroxy-3-methoxy-4-phenyl-2,3-dihydro-1H-quinoline-2-carbaldehyde
CID 146306262

Frequently Asked Questions

What is the IUPAC name of methyl 4,4-diphenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]-2-carboxylate?
The IUPAC name of methyl 4,4-diphenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]-2-carboxylate (CID 132594646) is methyl 4,4-diphenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]-2-carboxylate.
What is the SMILES notation for methyl 4,4-diphenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]-2-carboxylate?
The canonical SMILES for methyl 4,4-diphenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]-2-carboxylate is COC(=O)C1Nc2ccccc2C(c2ccccc2)(c2ccccc2)C12CC2.
What is the InChIKey of methyl 4,4-diphenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]-2-carboxylate?
The InChIKey is AIMAWEBWSFGMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO2/c1-28-23(27)22-24(16-17-24)25(18-10-4-2-5-11-18,19-12-6-3-7-13-19)20-14-8-9-15-21(20)26-22/h2-15,22,26H,16-17H2,1H3.
What are the key properties of methyl 4,4-diphenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]-2-carboxylate?
methyl 4,4-diphenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]-2-carboxylate has a molecular weight of 369.46 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,4-diphenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]-2-carboxylate is sourced from PubChem (CID 132594646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).