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

C24H18BrNO — CID 134950900

IUPAC(2R,3R)-2-(2-bromophenyl)-3-phenyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one
SMILESO=c1[nH]c2ccccc2c2c1[C@@H](c1ccccc1)[C@H](c1ccccc1Br)C2
InChIInChI=1S/C24H18BrNO/c25-20-12-6-4-10-16(20)18-14-19-17-11-5-7-13-21(17)26-24(27)23(19)22(18)15-8-2-1-3-9-15/h1-13,18,22H,14H2,(H,26,27)/t18-,22-/m0/s1
InChIKeyMFVKOVLGEGSQRQ-AVRDEDQJSA-N
MW416.32 g/mol
LogP5.76
Rot. Bonds2

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

(2R,3R)-2-(2-bromophenyl)-3-phenyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one (PubChem CID 134950900) has the molecular formula C24H18BrNO and a molecular weight of 416.32 g/mol. Its IUPAC name is (2R,3R)-2-(2-bromophenyl)-3-phenyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one.

Molecular Properties

Compound Name(2R,3R)-2-(2-bromophenyl)-3-phenyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one
PubChem CID134950900
Molecular FormulaC24H18BrNO
Molecular Weight416.32 g/mol
Exact Mass415.06
IUPAC Name(2R,3R)-2-(2-bromophenyl)-3-phenyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one
SMILESO=c1[nH]c2ccccc2c2c1[C@@H](c1ccccc1)[C@H](c1ccccc1Br)C2
InChIInChI=1S/C24H18BrNO/c25-20-12-6-4-10-16(20)18-14-19-17-11-5-7-13-21(17)26-24(27)23(19)22(18)15-8-2-1-3-9-15/h1-13,18,22H,14H2,(H,26,27)/t18-,22-/m0/s1
InChIKeyMFVKOVLGEGSQRQ-AVRDEDQJSA-N
XLogP5.76
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.32
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,3R)-2-(furan-2-yl)-3-phenyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one
CID 134950895
(2R,3R)-3-(4-methoxyphenyl)-2-phenyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one
CID 134950896
(1S,3R)-1-(2-bromophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
CID 987156
(3S,4S)-2,3-dimethyl-4-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 15496457
(1S)-1-(2-bromophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 1134278
4-oxo-1,2,3,5-tetrahydropyrrolo[3,4-c]quinoline-3-carbaldehyde
CID 174292359
(2S,8R)-6-benzyl-2-(2-bromophenyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
CID 46193491
4-cyclopropyl-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione
CID 6324683
(4S)-4-[2-(trifluoromethyl)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione
CID 7220900
(4S)-4-(2-methylphenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione
CID 7426431
(5S,6R)-6-(2-bromophenyl)-3,3-dimethyl-5-phenyloxane-2,4-dione
CID 7347218
13-methyl-10-phenyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraene-12,14-dione
CID 14661547

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(2-bromophenyl)-3-phenyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one?
The IUPAC name of (2R,3R)-2-(2-bromophenyl)-3-phenyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one (CID 134950900) is (2R,3R)-2-(2-bromophenyl)-3-phenyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one.
What is the SMILES notation for (2R,3R)-2-(2-bromophenyl)-3-phenyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one?
The canonical SMILES for (2R,3R)-2-(2-bromophenyl)-3-phenyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one is O=c1[nH]c2ccccc2c2c1[C@@H](c1ccccc1)[C@H](c1ccccc1Br)C2.
What is the InChIKey of (2R,3R)-2-(2-bromophenyl)-3-phenyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one?
The InChIKey is MFVKOVLGEGSQRQ-AVRDEDQJSA-N. The full InChI is InChI=1S/C24H18BrNO/c25-20-12-6-4-10-16(20)18-14-19-17-11-5-7-13-21(17)26-24(27)23(19)22(18)15-8-2-1-3-9-15/h1-13,18,22H,14H2,(H,26,27)/t18-,22-/m0/s1.
What are the key properties of (2R,3R)-2-(2-bromophenyl)-3-phenyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one?
(2R,3R)-2-(2-bromophenyl)-3-phenyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one has a molecular weight of 416.32 g/mol, XLogP of 5.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(2-bromophenyl)-3-phenyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one is sourced from PubChem (CID 134950900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).