(2S,4S)-2-phenyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline

C19H22N2 — CID 10333801

IUPAC(2S,4S)-2-phenyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline
SMILESc1ccc([C@@H]2C[C@H](N3CCCC3)c3ccccc3N2)cc1
InChIInChI=1S/C19H22N2/c1-2-8-15(9-3-1)18-14-19(21-12-6-7-13-21)16-10-4-5-11-17(16)20-18/h1-5,8-11,18-20H,6-7,12-14H2/t18-,19-/m0/s1
InChIKeySPSRAOYUGHBABI-OALUTQOASA-N
MW278.40 g/mol
LogP4.38
Rot. Bonds2

About (2S,4S)-2-phenyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline

(2S,4S)-2-phenyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline (PubChem CID 10333801) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (2S,4S)-2-phenyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name(2S,4S)-2-phenyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline
PubChem CID10333801
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name(2S,4S)-2-phenyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline
SMILESc1ccc([C@@H]2C[C@H](N3CCCC3)c3ccccc3N2)cc1
InChIInChI=1S/C19H22N2/c1-2-8-15(9-3-1)18-14-19(21-12-6-7-13-21)16-10-4-5-11-17(16)20-18/h1-5,8-11,18-20H,6-7,12-14H2/t18-,19-/m0/s1
InChIKeySPSRAOYUGHBABI-OALUTQOASA-N
XLogP4.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline
CID 3724874
1-[(2R,4R)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
CID 40526644
2-methyl-4-piperidin-1-yl-1,2,3,4-tetrahydroquinoline
CID 82275850
2-phenyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 73425029
1-[(2R,4S)-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
CID 45103334
1-[(2S,4S)-6-chloro-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]azepan-2-one
CID 46866851
[(2S)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]methyl-tri(propan-2-yl)silane
CID 102388736
2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinolin-4-amine
CID 73424977
2-[(3S,5S)-2-oxo-5-phenylpyrrolidin-3-yl]isoindole-1,3-dione
CID 142755205
9-(6-methoxy-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl)carbazole
CID 101491129
[4-(2-oxopyrrolidin-1-yl)-2-phenyl-1,2,3,4-tetrahydroquinolin-6-yl] thiocyanate
CID 58956734
(2R,4S)-4-(2-chlorophenyl)-2-phenyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
CID 136671420

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-phenyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of (2S,4S)-2-phenyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline (CID 10333801) is (2S,4S)-2-phenyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for (2S,4S)-2-phenyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for (2S,4S)-2-phenyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline is c1ccc([C@@H]2C[C@H](N3CCCC3)c3ccccc3N2)cc1.
What is the InChIKey of (2S,4S)-2-phenyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline?
The InChIKey is SPSRAOYUGHBABI-OALUTQOASA-N. The full InChI is InChI=1S/C19H22N2/c1-2-8-15(9-3-1)18-14-19(21-12-6-7-13-21)16-10-4-5-11-17(16)20-18/h1-5,8-11,18-20H,6-7,12-14H2/t18-,19-/m0/s1.
What are the key properties of (2S,4S)-2-phenyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline?
(2S,4S)-2-phenyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline has a molecular weight of 278.40 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-phenyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 10333801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).