(2R,4R)-4-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-4-methylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]

C27H29NO2 — CID 101235769

IUPAC(2R,4R)-4-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-4-methylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]
SMILESCCOc1ccc([C@@]2(C)c3ccccc3N[C@H](c3ccc(OC)cc3)C23CC3)cc1
InChIInChI=1S/C27H29NO2/c1-4-30-22-15-11-20(12-16-22)26(2)23-7-5-6-8-24(23)28-25(27(26)17-18-27)19-9-13-21(29-3)14-10-19/h5-16,25,28H,4,17-18H2,1-3H3/t25-,26+/m1/s1
InChIKeyYGQXYYRGJVUNQS-FTJBHMTQSA-N
MW399.53 g/mol
LogP6.35
Rot. Bonds5

About (2R,4R)-4-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-4-methylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]

(2R,4R)-4-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-4-methylspiro[1,2-dihydroquinoline-3,1'-cyclopropane] (PubChem CID 101235769) has the molecular formula C27H29NO2 and a molecular weight of 399.53 g/mol. Its IUPAC name is (2R,4R)-4-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-4-methylspiro[1,2-dihydroquinoline-3,1'-cyclopropane].

Molecular Properties

Compound Name(2R,4R)-4-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-4-methylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]
PubChem CID101235769
Molecular FormulaC27H29NO2
Molecular Weight399.53 g/mol
Exact Mass399.22
IUPAC Name(2R,4R)-4-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-4-methylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]
SMILESCCOc1ccc([C@@]2(C)c3ccccc3N[C@H](c3ccc(OC)cc3)C23CC3)cc1
InChIInChI=1S/C27H29NO2/c1-4-30-22-15-11-20(12-16-22)26(2)23-7-5-6-8-24(23)28-25(27(26)17-18-27)19-9-13-21(29-3)14-10-19/h5-16,25,28H,4,17-18H2,1-3H3/t25-,26+/m1/s1
InChIKeyYGQXYYRGJVUNQS-FTJBHMTQSA-N
XLogP6.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.53
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,4R)-4-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-4-methylspiro[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
9-(4-ethoxyphenyl)-9-(4-methoxyphenyl)fluorene
CID 21037516
6-chloro-4,4-bis(4-methoxyphenyl)-2-phenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]
CID 101235755
1-ethoxy-4-[1-(2-methoxyphenyl)cyclohexyl]benzene
CID 11551348
(5R)-3-[2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 41367932
ethyl 6-bromo-4-(4-methoxyphenyl)-4-phenylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]-2-carboxylate
CID 101463972
9-(4-ethoxyphenyl)-9-phenylfluorene
CID 135250989
(2R,3R)-2-methoxy-3-(4-methoxyphenyl)-1,2-dihydroindole-3-carboxylic acid
CID 57342093
N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 94829289
1-(4-ethoxyphenyl)-4-methylcyclohexan-1-ol
CID 62788999
(4R,5S)-4-methoxy-5-(4-methoxyphenyl)-4-phenylpyrrolidin-2-one
CID 15356108
4-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 16740807

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-4-methylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]?
The IUPAC name of (2R,4R)-4-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-4-methylspiro[1,2-dihydroquinoline-3,1'-cyclopropane] (CID 101235769) is (2R,4R)-4-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-4-methylspiro[1,2-dihydroquinoline-3,1'-cyclopropane].
What is the SMILES notation for (2R,4R)-4-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-4-methylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]?
The canonical SMILES for (2R,4R)-4-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-4-methylspiro[1,2-dihydroquinoline-3,1'-cyclopropane] is CCOc1ccc([C@@]2(C)c3ccccc3N[C@H](c3ccc(OC)cc3)C23CC3)cc1.
What is the InChIKey of (2R,4R)-4-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-4-methylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]?
The InChIKey is YGQXYYRGJVUNQS-FTJBHMTQSA-N. The full InChI is InChI=1S/C27H29NO2/c1-4-30-22-15-11-20(12-16-22)26(2)23-7-5-6-8-24(23)28-25(27(26)17-18-27)19-9-13-21(29-3)14-10-19/h5-16,25,28H,4,17-18H2,1-3H3/t25-,26+/m1/s1.
What are the key properties of (2R,4R)-4-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-4-methylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]?
(2R,4R)-4-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-4-methylspiro[1,2-dihydroquinoline-3,1'-cyclopropane] has a molecular weight of 399.53 g/mol, XLogP of 6.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-4-methylspiro[1,2-dihydroquinoline-3,1'-cyclopropane] is sourced from PubChem (CID 101235769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).