(3R)-3,4-dimethyl-7-(quinolin-8-ylmethoxy)-2,3-dihydroinden-1-one

C21H19NO2 — CID 33100645

IUPAC(3R)-3,4-dimethyl-7-(quinolin-8-ylmethoxy)-2,3-dihydroinden-1-one
SMILESCc1ccc(OCc2cccc3cccnc23)c2c1[C@H](C)CC2=O
InChIInChI=1S/C21H19NO2/c1-13-8-9-18(20-17(23)11-14(2)19(13)20)24-12-16-6-3-5-15-7-4-10-22-21(15)16/h3-10,14H,11-12H2,1-2H3/t14-/m1/s1
InChIKeySGSMMKCVPWTTAU-CQSZACIVSA-N
MW317.39 g/mol
LogP4.81
Rot. Bonds3

About (3R)-3,4-dimethyl-7-(quinolin-8-ylmethoxy)-2,3-dihydroinden-1-one

(3R)-3,4-dimethyl-7-(quinolin-8-ylmethoxy)-2,3-dihydroinden-1-one (PubChem CID 33100645) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is (3R)-3,4-dimethyl-7-(quinolin-8-ylmethoxy)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name(3R)-3,4-dimethyl-7-(quinolin-8-ylmethoxy)-2,3-dihydroinden-1-one
PubChem CID33100645
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name(3R)-3,4-dimethyl-7-(quinolin-8-ylmethoxy)-2,3-dihydroinden-1-one
SMILESCc1ccc(OCc2cccc3cccnc23)c2c1[C@H](C)CC2=O
InChIInChI=1S/C21H19NO2/c1-13-8-9-18(20-17(23)11-14(2)19(13)20)24-12-16-6-3-5-15-7-4-10-22-21(15)16/h3-10,14H,11-12H2,1-2H3/t14-/m1/s1
InChIKeySGSMMKCVPWTTAU-CQSZACIVSA-N
XLogP4.81
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-3,4-dimethyl-7-(quinolin-8-ylmethoxy)-2,3-dihydroinden-1-one with MolForge

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Related Compounds

8-[(5-bromo-2-methylphenoxy)methyl]quinoline
CID 107283970
6-methyl-3-(quinolin-8-ylmethoxy)pyridine-2-carbaldehyde
CID 78929085
8-[[2-(chloromethyl)-4-methylphenoxy]methyl]quinoline
CID 63325423
8-[[6,13,20-trimethoxy-12,19-bis(quinolin-8-ylmethoxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]quinoline
CID 11285895
4-methyl-2-(quinolin-8-ylmethoxy)aniline
CID 28773261
8-[(2-chlorophenoxy)methyl]quinoline
CID 60705460
4-methyl-2-(quinolin-8-ylmethoxy)benzamide
CID 17419396
1-[2-(quinolin-8-ylmethoxy)phenyl]ethanol
CID 43503960
5-fluoro-2-(quinolin-8-ylmethoxy)aniline
CID 62369996
5-chloro-2-(quinolin-8-ylmethoxy)benzaldehyde
CID 43244328
8-(cyclopentyloxymethyl)quinoline
CID 126674909
[5-fluoro-2-(quinolin-8-ylmethoxy)phenyl]methanamine
CID 107695009

Frequently Asked Questions

What is the IUPAC name of (3R)-3,4-dimethyl-7-(quinolin-8-ylmethoxy)-2,3-dihydroinden-1-one?
The IUPAC name of (3R)-3,4-dimethyl-7-(quinolin-8-ylmethoxy)-2,3-dihydroinden-1-one (CID 33100645) is (3R)-3,4-dimethyl-7-(quinolin-8-ylmethoxy)-2,3-dihydroinden-1-one.
What is the SMILES notation for (3R)-3,4-dimethyl-7-(quinolin-8-ylmethoxy)-2,3-dihydroinden-1-one?
The canonical SMILES for (3R)-3,4-dimethyl-7-(quinolin-8-ylmethoxy)-2,3-dihydroinden-1-one is Cc1ccc(OCc2cccc3cccnc23)c2c1[C@H](C)CC2=O.
What is the InChIKey of (3R)-3,4-dimethyl-7-(quinolin-8-ylmethoxy)-2,3-dihydroinden-1-one?
The InChIKey is SGSMMKCVPWTTAU-CQSZACIVSA-N. The full InChI is InChI=1S/C21H19NO2/c1-13-8-9-18(20-17(23)11-14(2)19(13)20)24-12-16-6-3-5-15-7-4-10-22-21(15)16/h3-10,14H,11-12H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-3,4-dimethyl-7-(quinolin-8-ylmethoxy)-2,3-dihydroinden-1-one?
(3R)-3,4-dimethyl-7-(quinolin-8-ylmethoxy)-2,3-dihydroinden-1-one has a molecular weight of 317.39 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,4-dimethyl-7-(quinolin-8-ylmethoxy)-2,3-dihydroinden-1-one is sourced from PubChem (CID 33100645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).