4,4-bis(4-ethoxyphenyl)-8-methoxy-2-phenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]

C34H35NO3 — CID 101261071

IUPAC4,4-bis(4-ethoxyphenyl)-8-methoxy-2-phenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]
SMILESCCOc1ccc(C2(c3ccc(OCC)cc3)c3cccc(OC)c3NC(c3ccccc3)C23CC3)cc1
InChIInChI=1S/C34H35NO3/c1-4-37-27-18-14-25(15-19-27)34(26-16-20-28(21-17-26)38-5-2)29-12-9-13-30(36-3)31(29)35-32(33(34)22-23-33)24-10-7-6-8-11-24/h6-21,32,35H,4-5,22-23H2,1-3H3
InChIKeyIDANAFSKJTVAGY-UHFFFAOYSA-N
MW505.66 g/mol
LogP7.77
Rot. Bonds8

About 4,4-bis(4-ethoxyphenyl)-8-methoxy-2-phenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]

4,4-bis(4-ethoxyphenyl)-8-methoxy-2-phenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane] (PubChem CID 101261071) has the molecular formula C34H35NO3 and a molecular weight of 505.66 g/mol. Its IUPAC name is 4,4-bis(4-ethoxyphenyl)-8-methoxy-2-phenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane].

Molecular Properties

Compound Name4,4-bis(4-ethoxyphenyl)-8-methoxy-2-phenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]
PubChem CID101261071
Molecular FormulaC34H35NO3
Molecular Weight505.66 g/mol
Exact Mass505.26
IUPAC Name4,4-bis(4-ethoxyphenyl)-8-methoxy-2-phenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]
SMILESCCOc1ccc(C2(c3ccc(OCC)cc3)c3cccc(OC)c3NC(c3ccccc3)C23CC3)cc1
InChIInChI=1S/C34H35NO3/c1-4-37-27-18-14-25(15-19-27)34(26-16-20-28(21-17-26)38-5-2)29-12-9-13-30(36-3)31(29)35-32(33(34)22-23-33)24-10-7-6-8-11-24/h6-21,32,35H,4-5,22-23H2,1-3H3
InChIKeyIDANAFSKJTVAGY-UHFFFAOYSA-N
XLogP7.77
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.66
LogP ≤ 57.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,4-bis(4-ethoxyphenyl)-8-methoxy-2-phenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane] with MolForge

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Related Compounds

(2R,4R)-4-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-4-methylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]
CID 101235769
1-ethoxy-4-[1-(2-methoxyphenyl)cyclohexyl]benzene
CID 11551348
9-(4-ethoxyphenyl)-9-(4-methoxyphenyl)fluorene
CID 21037516
9-(4-ethoxyphenyl)-9-phenylfluorene
CID 135250989
1-(4-ethoxyphenyl)-4-methylcyclohexan-1-ol
CID 62788999
3-(4-ethoxyphenyl)-2,2,3-trimethylpyrrolidine
CID 55063190
8-methoxy-4-phenyl-1,2,3,4-tetrahydroquinoline
CID 54763699
ethyl 6-bromo-4-(4-methoxyphenyl)-4-phenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]-2-carboxylate
CID 101463972
1-(4-ethoxyphenyl)cycloheptane-1-carboxylic acid
CID 28937797
6-(2-ethoxy-3-methoxyphenyl)-9-(4-ethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 17064894
9-(4-ethoxyphenyl)-6-(2-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 17061402
9,9-bis(6-ethoxynaphthalen-2-yl)fluorene
CID 166857178

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(4-ethoxyphenyl)-8-methoxy-2-phenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]?
The IUPAC name of 4,4-bis(4-ethoxyphenyl)-8-methoxy-2-phenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane] (CID 101261071) is 4,4-bis(4-ethoxyphenyl)-8-methoxy-2-phenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane].
What is the SMILES notation for 4,4-bis(4-ethoxyphenyl)-8-methoxy-2-phenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]?
The canonical SMILES for 4,4-bis(4-ethoxyphenyl)-8-methoxy-2-phenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane] is CCOc1ccc(C2(c3ccc(OCC)cc3)c3cccc(OC)c3NC(c3ccccc3)C23CC3)cc1.
What is the InChIKey of 4,4-bis(4-ethoxyphenyl)-8-methoxy-2-phenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]?
The InChIKey is IDANAFSKJTVAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35NO3/c1-4-37-27-18-14-25(15-19-27)34(26-16-20-28(21-17-26)38-5-2)29-12-9-13-30(36-3)31(29)35-32(33(34)22-23-33)24-10-7-6-8-11-24/h6-21,32,35H,4-5,22-23H2,1-3H3.
What are the key properties of 4,4-bis(4-ethoxyphenyl)-8-methoxy-2-phenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]?
4,4-bis(4-ethoxyphenyl)-8-methoxy-2-phenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane] has a molecular weight of 505.66 g/mol, XLogP of 7.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(4-ethoxyphenyl)-8-methoxy-2-phenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane] is sourced from PubChem (CID 101261071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).