[6-[4-(dimethylamino)phenyl]quinolin-4-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

C22H23N3O2 — CID 137490276

IUPAC[6-[4-(dimethylamino)phenyl]quinolin-4-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCN(C)c1ccc(-c2ccc3nccc(C(=O)N4CC[C@H](O)C4)c3c2)cc1
InChIInChI=1S/C22H23N3O2/c1-24(2)17-6-3-15(4-7-17)16-5-8-21-20(13-16)19(9-11-23-21)22(27)25-12-10-18(26)14-25/h3-9,11,13,18,26H,10,12,14H2,1-2H3/t18-/m0/s1
InChIKeyTVZHOBXTLBNOLU-SFHVURJKSA-N
MW361.45 g/mol
LogP3.17
Rot. Bonds3

About [6-[4-(dimethylamino)phenyl]quinolin-4-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

[6-[4-(dimethylamino)phenyl]quinolin-4-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 137490276) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is [6-[4-(dimethylamino)phenyl]quinolin-4-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[6-[4-(dimethylamino)phenyl]quinolin-4-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID137490276
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name[6-[4-(dimethylamino)phenyl]quinolin-4-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCN(C)c1ccc(-c2ccc3nccc(C(=O)N4CC[C@H](O)C4)c3c2)cc1
InChIInChI=1S/C22H23N3O2/c1-24(2)17-6-3-15(4-7-17)16-5-8-21-20(13-16)19(9-11-23-21)22(27)25-12-10-18(26)14-25/h3-9,11,13,18,26H,10,12,14H2,1-2H3/t18-/m0/s1
InChIKeyTVZHOBXTLBNOLU-SFHVURJKSA-N
XLogP3.17
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-[4-(dimethylamino)phenyl]quinolin-4-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[4-(dimethylamino)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261919
[2-(dimethylamino)-4-pyridinyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79031539
(2,3-difluoro-4-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 105381176
[6-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-4-yl]-piperidin-1-ylmethanone
CID 137490340
[4-(4-aminoquinolin-6-yl)phenyl]-[3-(dimethylamino)piperidin-1-yl]methanone
CID 122572045
(3-bromo-4-methylpiperidin-1-yl)-quinolin-4-ylmethanone
CID 102962196
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 129492955
methyl 6-(3-hydroxypyrrolidin-1-yl)quinoline-4-carboxylate
CID 167118448
[5-amino-2-(dimethylamino)phenyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916446
1-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]pyrrolidin-3-ol
CID 10149903
[(3R)-3-hydroxypyrrolidin-1-yl]-[4-(4-methoxy-2-pyridinyl)phenyl]methanone
CID 122572750
6-[3-[[4-cyano-6-[4-(dimethylamino)phenyl]quinolin-3-yl]methyl]-4-(dimethylamino)phenyl]quinoline-4-carboxylic acid
CID 154939298

Frequently Asked Questions

What is the IUPAC name of [6-[4-(dimethylamino)phenyl]quinolin-4-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of [6-[4-(dimethylamino)phenyl]quinolin-4-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (CID 137490276) is [6-[4-(dimethylamino)phenyl]quinolin-4-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for [6-[4-(dimethylamino)phenyl]quinolin-4-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for [6-[4-(dimethylamino)phenyl]quinolin-4-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is CN(C)c1ccc(-c2ccc3nccc(C(=O)N4CC[C@H](O)C4)c3c2)cc1.
What is the InChIKey of [6-[4-(dimethylamino)phenyl]quinolin-4-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is TVZHOBXTLBNOLU-SFHVURJKSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-24(2)17-6-3-15(4-7-17)16-5-8-21-20(13-16)19(9-11-23-21)22(27)25-12-10-18(26)14-25/h3-9,11,13,18,26H,10,12,14H2,1-2H3/t18-/m0/s1.
What are the key properties of [6-[4-(dimethylamino)phenyl]quinolin-4-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
[6-[4-(dimethylamino)phenyl]quinolin-4-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 361.45 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(dimethylamino)phenyl]quinolin-4-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 137490276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).