6-chloro-4,4-bis(4-methoxyphenyl)-2-phenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]

C31H28ClNO2 — CID 101235755

IUPAC6-chloro-4,4-bis(4-methoxyphenyl)-2-phenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]
SMILESCOc1ccc(C2(c3ccc(OC)cc3)c3cc(Cl)ccc3NC(c3ccccc3)C23CC3)cc1
InChIInChI=1S/C31H28ClNO2/c1-34-25-13-8-22(9-14-25)31(23-10-15-26(35-2)16-11-23)27-20-24(32)12-17-28(27)33-29(30(31)18-19-30)21-6-4-3-5-7-21/h3-17,20,29,33H,18-19H2,1-2H3
InChIKeyGTHDVFSJFDNDCY-UHFFFAOYSA-N
MW482.02 g/mol
LogP7.64
Rot. Bonds5

About 6-chloro-4,4-bis(4-methoxyphenyl)-2-phenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]

6-chloro-4,4-bis(4-methoxyphenyl)-2-phenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane] (PubChem CID 101235755) has the molecular formula C31H28ClNO2 and a molecular weight of 482.02 g/mol. Its IUPAC name is 6-chloro-4,4-bis(4-methoxyphenyl)-2-phenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane].

Molecular Properties

Compound Name6-chloro-4,4-bis(4-methoxyphenyl)-2-phenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]
PubChem CID101235755
Molecular FormulaC31H28ClNO2
Molecular Weight482.02 g/mol
Exact Mass481.18
IUPAC Name6-chloro-4,4-bis(4-methoxyphenyl)-2-phenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]
SMILESCOc1ccc(C2(c3ccc(OC)cc3)c3cc(Cl)ccc3NC(c3ccccc3)C23CC3)cc1
InChIInChI=1S/C31H28ClNO2/c1-34-25-13-8-22(9-14-25)31(23-10-15-26(35-2)16-11-23)27-20-24(32)12-17-28(27)33-29(30(31)18-19-30)21-6-4-3-5-7-21/h3-17,20,29,33H,18-19H2,1-2H3
InChIKeyGTHDVFSJFDNDCY-UHFFFAOYSA-N
XLogP7.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.02
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-4,4-bis(4-methoxyphenyl)-2-phenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane] with MolForge

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Related Compounds

4,4-bis(4-ethoxyphenyl)-8-methoxy-2-phenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]
CID 101261071
(2R,4R)-4-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-4-methylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]
CID 101235769
ethyl 6-bromo-4-(4-methoxyphenyl)-4-phenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]-2-carboxylate
CID 101463972
6-chloro-2-(4-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline
CID 15566168
anisole;1,4-dichlorobenzene
CID 175517246
(3R)-6-bromo-2-(4-methoxyphenyl)-3-phenyl-3-(trifluoromethyl)-2,4-dihydro-1H-quinoline
CID 172643187
(4R,5S)-4-methoxy-5-(4-methoxyphenyl)-4-phenylpyrrolidin-2-one
CID 15356108
(2S)-6-chloro-4-(2-cyclopropylethynyl)-2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazine
CID 20610832
1-(5-chloro-2-methoxyphenyl)-3-phenylcyclobutan-1-amine
CID 65014865
2-chloro-9-(4-chlorophenyl)-6-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 3978384
[4-[3-(4-cyanatophenyl)-2-phenyl-1,2-dihydroindol-3-yl]phenyl] cyanate
CID 157095796
(4aS,5S,10bS)-9-chloro-5-(4-methoxyphenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 92878413

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4,4-bis(4-methoxyphenyl)-2-phenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]?
The IUPAC name of 6-chloro-4,4-bis(4-methoxyphenyl)-2-phenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane] (CID 101235755) is 6-chloro-4,4-bis(4-methoxyphenyl)-2-phenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane].
What is the SMILES notation for 6-chloro-4,4-bis(4-methoxyphenyl)-2-phenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]?
The canonical SMILES for 6-chloro-4,4-bis(4-methoxyphenyl)-2-phenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane] is COc1ccc(C2(c3ccc(OC)cc3)c3cc(Cl)ccc3NC(c3ccccc3)C23CC3)cc1.
What is the InChIKey of 6-chloro-4,4-bis(4-methoxyphenyl)-2-phenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]?
The InChIKey is GTHDVFSJFDNDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28ClNO2/c1-34-25-13-8-22(9-14-25)31(23-10-15-26(35-2)16-11-23)27-20-24(32)12-17-28(27)33-29(30(31)18-19-30)21-6-4-3-5-7-21/h3-17,20,29,33H,18-19H2,1-2H3.
What are the key properties of 6-chloro-4,4-bis(4-methoxyphenyl)-2-phenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]?
6-chloro-4,4-bis(4-methoxyphenyl)-2-phenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane] has a molecular weight of 482.02 g/mol, XLogP of 7.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4,4-bis(4-methoxyphenyl)-2-phenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane] is sourced from PubChem (CID 101235755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).