8-[[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]methylsulfonyl]quinoline

C27H26N2O2S — CID 162034784

IUPAC8-[[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]methylsulfonyl]quinoline
SMILESO=S(=O)(C[C@@H]1CCN(Cc2ccc(-c3ccccc3)cc2)C1)c1cccc2cccnc12
InChIInChI=1S/C27H26N2O2S/c30-32(31,26-10-4-8-25-9-5-16-28-27(25)26)20-22-15-17-29(19-22)18-21-11-13-24(14-12-21)23-6-2-1-3-7-23/h1-14,16,22H,15,17-20H2/t22-/m1/s1
InChIKeyYWMSXESJWCTOKA-JOCHJYFZSA-N
MW442.58 g/mol
LogP5.20
Rot. Bonds6

About 8-[[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]methylsulfonyl]quinoline

8-[[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]methylsulfonyl]quinoline (PubChem CID 162034784) has the molecular formula C27H26N2O2S and a molecular weight of 442.58 g/mol. Its IUPAC name is 8-[[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]methylsulfonyl]quinoline.

Molecular Properties

Compound Name8-[[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]methylsulfonyl]quinoline
PubChem CID162034784
Molecular FormulaC27H26N2O2S
Molecular Weight442.58 g/mol
Exact Mass442.17
IUPAC Name8-[[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]methylsulfonyl]quinoline
SMILESO=S(=O)(C[C@@H]1CCN(Cc2ccc(-c3ccccc3)cc2)C1)c1cccc2cccnc12
InChIInChI=1S/C27H26N2O2S/c30-32(31,26-10-4-8-25-9-5-16-28-27(25)26)20-22-15-17-29(19-22)18-21-11-13-24(14-12-21)23-6-2-1-3-7-23/h1-14,16,22H,15,17-20H2/t22-/m1/s1
InChIKeyYWMSXESJWCTOKA-JOCHJYFZSA-N
XLogP5.20
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.58
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]methylsulfonyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-[(2-chloro-5-methylsulfonylphenyl)sulfonylmethyl]-1-[(4-phenylphenyl)methyl]pyrrolidine
CID 161360524
N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide
CID 45178644
2-[(1-benzylpyrrolidin-3-yl)methylamino]pyridine-3-sulfonamide
CID 154740686
8-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]sulfonylquinoline
CID 23933018
1-[(4-phenylphenyl)methyl]pyrrolidin-3-amine
CID 62068870
8-(2-benzyl-4-cyclopropylpiperazin-1-yl)sulfonylquinoline
CID 90567332
(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-amine
CID 119962398
[2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[(2S)-4-(cyclopropylmethyl)-2-phenylpiperazin-1-yl]methanone
CID 147525589
1-benzyl-3-ethylpyrrolidine
CID 12648208
N-[[(3R)-1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide
CID 42514082
8-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylquinoline
CID 20930309
8-[4-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylquinoline
CID 99816764

Frequently Asked Questions

What is the IUPAC name of 8-[[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]methylsulfonyl]quinoline?
The IUPAC name of 8-[[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]methylsulfonyl]quinoline (CID 162034784) is 8-[[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]methylsulfonyl]quinoline.
What is the SMILES notation for 8-[[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]methylsulfonyl]quinoline?
The canonical SMILES for 8-[[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]methylsulfonyl]quinoline is O=S(=O)(C[C@@H]1CCN(Cc2ccc(-c3ccccc3)cc2)C1)c1cccc2cccnc12.
What is the InChIKey of 8-[[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]methylsulfonyl]quinoline?
The InChIKey is YWMSXESJWCTOKA-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H26N2O2S/c30-32(31,26-10-4-8-25-9-5-16-28-27(25)26)20-22-15-17-29(19-22)18-21-11-13-24(14-12-21)23-6-2-1-3-7-23/h1-14,16,22H,15,17-20H2/t22-/m1/s1.
What are the key properties of 8-[[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]methylsulfonyl]quinoline?
8-[[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]methylsulfonyl]quinoline has a molecular weight of 442.58 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]methylsulfonyl]quinoline is sourced from PubChem (CID 162034784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).