(3'R,4R,5R)-3',4,5-trimethyl-3'-phenylspiro[1,3-dioxolane-2,4'-quinoline]

C20H21NO2 — CID 53356391

IUPAC(3'R,4R,5R)-3',4,5-trimethyl-3'-phenylspiro[1,3-dioxolane-2,4'-quinoline]
SMILESC[C@H]1OC2(O[C@@H]1C)c1ccccc1N=C[C@@]2(C)c1ccccc1
InChIInChI=1S/C20H21NO2/c1-14-15(2)23-20(22-14)17-11-7-8-12-18(17)21-13-19(20,3)16-9-5-4-6-10-16/h4-15H,1-3H3/t14-,15-,19+/m1/s1
InChIKeyOZWGORBOHMFFHG-CLCXKQKWSA-N
MW307.39 g/mol
LogP4.34
Rot. Bonds1

About (3'R,4R,5R)-3',4,5-trimethyl-3'-phenylspiro[1,3-dioxolane-2,4'-quinoline]

(3'R,4R,5R)-3',4,5-trimethyl-3'-phenylspiro[1,3-dioxolane-2,4'-quinoline] (PubChem CID 53356391) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is (3'R,4R,5R)-3',4,5-trimethyl-3'-phenylspiro[1,3-dioxolane-2,4'-quinoline].

Molecular Properties

Compound Name(3'R,4R,5R)-3',4,5-trimethyl-3'-phenylspiro[1,3-dioxolane-2,4'-quinoline]
PubChem CID53356391
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name(3'R,4R,5R)-3',4,5-trimethyl-3'-phenylspiro[1,3-dioxolane-2,4'-quinoline]
SMILESC[C@H]1OC2(O[C@@H]1C)c1ccccc1N=C[C@@]2(C)c1ccccc1
InChIInChI=1S/C20H21NO2/c1-14-15(2)23-20(22-14)17-11-7-8-12-18(17)21-13-19(20,3)16-9-5-4-6-10-16/h4-15H,1-3H3/t14-,15-,19+/m1/s1
InChIKeyOZWGORBOHMFFHG-CLCXKQKWSA-N
XLogP4.34
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3'R,4R,5R)-3',4,5-trimethyl-3'-phenylspiro[1,3-dioxolane-2,4'-quinoline]?
The IUPAC name of (3'R,4R,5R)-3',4,5-trimethyl-3'-phenylspiro[1,3-dioxolane-2,4'-quinoline] (CID 53356391) is (3'R,4R,5R)-3',4,5-trimethyl-3'-phenylspiro[1,3-dioxolane-2,4'-quinoline].
What is the SMILES notation for (3'R,4R,5R)-3',4,5-trimethyl-3'-phenylspiro[1,3-dioxolane-2,4'-quinoline]?
The canonical SMILES for (3'R,4R,5R)-3',4,5-trimethyl-3'-phenylspiro[1,3-dioxolane-2,4'-quinoline] is C[C@H]1OC2(O[C@@H]1C)c1ccccc1N=C[C@@]2(C)c1ccccc1.
What is the InChIKey of (3'R,4R,5R)-3',4,5-trimethyl-3'-phenylspiro[1,3-dioxolane-2,4'-quinoline]?
The InChIKey is OZWGORBOHMFFHG-CLCXKQKWSA-N. The full InChI is InChI=1S/C20H21NO2/c1-14-15(2)23-20(22-14)17-11-7-8-12-18(17)21-13-19(20,3)16-9-5-4-6-10-16/h4-15H,1-3H3/t14-,15-,19+/m1/s1.
What are the key properties of (3'R,4R,5R)-3',4,5-trimethyl-3'-phenylspiro[1,3-dioxolane-2,4'-quinoline]?
(3'R,4R,5R)-3',4,5-trimethyl-3'-phenylspiro[1,3-dioxolane-2,4'-quinoline] has a molecular weight of 307.39 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3'R,4R,5R)-3',4,5-trimethyl-3'-phenylspiro[1,3-dioxolane-2,4'-quinoline] is sourced from PubChem (CID 53356391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).