(3R)-1,1,3-trimethyl-9-phenyl-2,3-dihydrocyclopenta[b]quinoline

C21H21N — CID 7180244

IUPAC(3R)-1,1,3-trimethyl-9-phenyl-2,3-dihydrocyclopenta[b]quinoline
SMILESC[C@@H]1CC(C)(C)c2c1nc1ccccc1c2-c1ccccc1
InChIInChI=1S/C21H21N/c1-14-13-21(2,3)19-18(15-9-5-4-6-10-15)16-11-7-8-12-17(16)22-20(14)19/h4-12,14H,13H2,1-3H3/t14-/m1/s1
InChIKeyCQNMVQZZQAOJHV-CQSZACIVSA-N
MW287.41 g/mol
LogP5.69
Rot. Bonds1

About (3R)-1,1,3-trimethyl-9-phenyl-2,3-dihydrocyclopenta[b]quinoline

(3R)-1,1,3-trimethyl-9-phenyl-2,3-dihydrocyclopenta[b]quinoline (PubChem CID 7180244) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is (3R)-1,1,3-trimethyl-9-phenyl-2,3-dihydrocyclopenta[b]quinoline.

Molecular Properties

Compound Name(3R)-1,1,3-trimethyl-9-phenyl-2,3-dihydrocyclopenta[b]quinoline
PubChem CID7180244
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC Name(3R)-1,1,3-trimethyl-9-phenyl-2,3-dihydrocyclopenta[b]quinoline
SMILESC[C@@H]1CC(C)(C)c2c1nc1ccccc1c2-c1ccccc1
InChIInChI=1S/C21H21N/c1-14-13-21(2,3)19-18(15-9-5-4-6-10-15)16-11-7-8-12-17(16)22-20(14)19/h4-12,14H,13H2,1-3H3/t14-/m1/s1
InChIKeyCQNMVQZZQAOJHV-CQSZACIVSA-N
XLogP5.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.41
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-9-phenyl-3,4-dihydroacridine
CID 156562433
5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine;5,8-diphenyl-6,7-dihydroquinolino[3,2-c]acridine
CID 158548153
1,1,3,5-tetramethyl-2,3-dihydrocyclopenta[b]quinoline-9-carboxylic acid
CID 106662876
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]quinoline
CID 139567232
1,1,3-trimethyl-3,4-dihydro-2H-cyclopenta[b]indole
CID 135213343
(1S,12R,13S,24R)-12,24-dibromo-10,22-diphenyl-25-thia-3,15-diazahexacyclo[11.11.1.02,11.04,9.014,23.016,21]pentacosa-2,4,6,8,10,14,16,18,20,22-decaene
CID 139194582
23-hydroxy-3-phenyl-10-azahexacyclo[16.3.3.01,18.02,11.04,9.012,17]tetracosa-2,4,6,8,10,12,14,16-octaen-20-one
CID 138659054
9-phenylacridin-4-ol
CID 59256664
11,11-dimethyl-10-(4-phenanthren-9-ylphenyl)indeno[1,2-b]quinoline
CID 139567371
2-methyl-3,4-diphenylcinnolin-2-ium
CID 102493167
2-cyclopropyl-3-(3,3-dimethylbut-1-enyl)-4-(4-methylphenyl)quinoline;2-cyclopropyl-3-[(E)-3,3-dimethylbut-1-enyl]-4-(4-methylphenyl)quinoline
CID 162286872
11,11-dimethyl-10-(4-pyridin-2-ylphenyl)indeno[1,2-b]quinoline
CID 139567195

Frequently Asked Questions

What is the IUPAC name of (3R)-1,1,3-trimethyl-9-phenyl-2,3-dihydrocyclopenta[b]quinoline?
The IUPAC name of (3R)-1,1,3-trimethyl-9-phenyl-2,3-dihydrocyclopenta[b]quinoline (CID 7180244) is (3R)-1,1,3-trimethyl-9-phenyl-2,3-dihydrocyclopenta[b]quinoline.
What is the SMILES notation for (3R)-1,1,3-trimethyl-9-phenyl-2,3-dihydrocyclopenta[b]quinoline?
The canonical SMILES for (3R)-1,1,3-trimethyl-9-phenyl-2,3-dihydrocyclopenta[b]quinoline is C[C@@H]1CC(C)(C)c2c1nc1ccccc1c2-c1ccccc1.
What is the InChIKey of (3R)-1,1,3-trimethyl-9-phenyl-2,3-dihydrocyclopenta[b]quinoline?
The InChIKey is CQNMVQZZQAOJHV-CQSZACIVSA-N. The full InChI is InChI=1S/C21H21N/c1-14-13-21(2,3)19-18(15-9-5-4-6-10-15)16-11-7-8-12-17(16)22-20(14)19/h4-12,14H,13H2,1-3H3/t14-/m1/s1.
What are the key properties of (3R)-1,1,3-trimethyl-9-phenyl-2,3-dihydrocyclopenta[b]quinoline?
(3R)-1,1,3-trimethyl-9-phenyl-2,3-dihydrocyclopenta[b]quinoline has a molecular weight of 287.41 g/mol, XLogP of 5.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,1,3-trimethyl-9-phenyl-2,3-dihydrocyclopenta[b]quinoline is sourced from PubChem (CID 7180244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).