(2R,3R)-3-(4-methoxyphenyl)-2-phenyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one

C25H21NO2 — CID 134950896

IUPAC(2R,3R)-3-(4-methoxyphenyl)-2-phenyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one
SMILESCOc1ccc([C@@H]2c3c(c4ccccc4[nH]c3=O)C[C@H]2c2ccccc2)cc1
InChIInChI=1S/C25H21NO2/c1-28-18-13-11-17(12-14-18)23-20(16-7-3-2-4-8-16)15-21-19-9-5-6-10-22(19)26-25(27)24(21)23/h2-14,20,23H,15H2,1H3,(H,26,27)/t20-,23-/m0/s1
InChIKeyFUXLZIJFBLJNHM-REWPJTCUSA-N
MW367.45 g/mol
LogP5.01
Rot. Bonds3

About (2R,3R)-3-(4-methoxyphenyl)-2-phenyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one

(2R,3R)-3-(4-methoxyphenyl)-2-phenyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one (PubChem CID 134950896) has the molecular formula C25H21NO2 and a molecular weight of 367.45 g/mol. Its IUPAC name is (2R,3R)-3-(4-methoxyphenyl)-2-phenyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one.

Molecular Properties

Compound Name(2R,3R)-3-(4-methoxyphenyl)-2-phenyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one
PubChem CID134950896
Molecular FormulaC25H21NO2
Molecular Weight367.45 g/mol
Exact Mass367.16
IUPAC Name(2R,3R)-3-(4-methoxyphenyl)-2-phenyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one
SMILESCOc1ccc([C@@H]2c3c(c4ccccc4[nH]c3=O)C[C@H]2c2ccccc2)cc1
InChIInChI=1S/C25H21NO2/c1-28-18-13-11-17(12-14-18)23-20(16-7-3-2-4-8-16)15-21-19-9-5-6-10-22(19)26-25(27)24(21)23/h2-14,20,23H,15H2,1H3,(H,26,27)/t20-,23-/m0/s1
InChIKeyFUXLZIJFBLJNHM-REWPJTCUSA-N
XLogP5.01
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-2-(2-bromophenyl)-3-phenyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one
CID 134950900
(2R,3R)-2-(furan-2-yl)-3-phenyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one
CID 134950895
(3S,4S)-2,3-dimethyl-4-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 15496457
methyl 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
CID 3569025
(10S,15R)-10-(4-methoxyphenyl)-13-phenyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraene-12,14-dione
CID 1259399
(2R,3R,5S,6S)-2,6-bis(4-methoxyphenyl)-3,5-diphenylpiperidin-4-one
CID 40806325
1-(6-methoxynaphthalen-2-yl)-1,3,4,9-tetrahydropyrano[3,4-b]indole
CID 171356189
ethyl (4S)-2-amino-4-(4-methoxyphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate
CID 1426600
2-(4-methoxyphenyl)-3-(2-phenyl-1H-indol-3-yl)-1,3-thiazolidin-4-one
CID 10069584
(8R)-8-[(S)-hydroxy-(4-methoxyphenyl)methyl]-7,8-dihydro-5H-phenanthridin-6-one
CID 102421536
(2S,8R)-6-benzyl-2-(4-methoxyphenyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
CID 6568141
3-[(3S)-2-acetyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-4-(4-methylphenyl)-1H-quinolin-2-one
CID 136915128

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(4-methoxyphenyl)-2-phenyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one?
The IUPAC name of (2R,3R)-3-(4-methoxyphenyl)-2-phenyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one (CID 134950896) is (2R,3R)-3-(4-methoxyphenyl)-2-phenyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one.
What is the SMILES notation for (2R,3R)-3-(4-methoxyphenyl)-2-phenyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one?
The canonical SMILES for (2R,3R)-3-(4-methoxyphenyl)-2-phenyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one is COc1ccc([C@@H]2c3c(c4ccccc4[nH]c3=O)C[C@H]2c2ccccc2)cc1.
What is the InChIKey of (2R,3R)-3-(4-methoxyphenyl)-2-phenyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one?
The InChIKey is FUXLZIJFBLJNHM-REWPJTCUSA-N. The full InChI is InChI=1S/C25H21NO2/c1-28-18-13-11-17(12-14-18)23-20(16-7-3-2-4-8-16)15-21-19-9-5-6-10-22(19)26-25(27)24(21)23/h2-14,20,23H,15H2,1H3,(H,26,27)/t20-,23-/m0/s1.
What are the key properties of (2R,3R)-3-(4-methoxyphenyl)-2-phenyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one?
(2R,3R)-3-(4-methoxyphenyl)-2-phenyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one has a molecular weight of 367.45 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(4-methoxyphenyl)-2-phenyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one is sourced from PubChem (CID 134950896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).