[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-phenylquinolin-4-yl)methanone

C22H23N3O — CID 119542238

IUPAC[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-phenylquinolin-4-yl)methanone
SMILESCNCC1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)C1
InChIInChI=1S/C22H23N3O/c1-23-14-16-11-12-25(15-16)22(26)19-13-21(17-7-3-2-4-8-17)24-20-10-6-5-9-18(19)20/h2-10,13,16,23H,11-12,14-15H2,1H3
InChIKeyXIQOGMCNBDODBT-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.58
Rot. Bonds4

About [3-(methylaminomethyl)pyrrolidin-1-yl]-(2-phenylquinolin-4-yl)methanone

[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-phenylquinolin-4-yl)methanone (PubChem CID 119542238) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is [3-(methylaminomethyl)pyrrolidin-1-yl]-(2-phenylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-phenylquinolin-4-yl)methanone
PubChem CID119542238
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-phenylquinolin-4-yl)methanone
SMILESCNCC1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)C1
InChIInChI=1S/C22H23N3O/c1-23-14-16-11-12-25(15-16)22(26)19-13-21(17-7-3-2-4-8-17)24-20-10-6-5-9-18(19)20/h2-10,13,16,23H,11-12,14-15H2,1H3
InChIKeyXIQOGMCNBDODBT-UHFFFAOYSA-N
XLogP3.58
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-fluorophenyl)quinolin-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119544927
[2-(4-methoxyphenyl)quinolin-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119396458
(2-cyclopropylquinolin-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119540094
[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone;dihydrochloride
CID 119538448
[4-(ethylaminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)quinolin-4-yl]methanone
CID 119646409
1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 133108166
(2-chloro-5-phenylphenyl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124613032
(4-aminoazepan-1-yl)-(2-phenylquinolin-4-yl)methanone
CID 56913931
N,N-dimethyl-1-(2-phenylquinoline-4-carbonyl)piperidine-4-carboxamide
CID 78779468
(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119396591
(2,6-dimethylmorpholin-4-yl)-(2-phenylquinolin-4-yl)methanone
CID 2873550
3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(4-methylphenyl)quinolin-4-yl]methanone;dihydrochloride
CID 119636722

Frequently Asked Questions

What is the IUPAC name of [3-(methylaminomethyl)pyrrolidin-1-yl]-(2-phenylquinolin-4-yl)methanone?
The IUPAC name of [3-(methylaminomethyl)pyrrolidin-1-yl]-(2-phenylquinolin-4-yl)methanone (CID 119542238) is [3-(methylaminomethyl)pyrrolidin-1-yl]-(2-phenylquinolin-4-yl)methanone.
What is the SMILES notation for [3-(methylaminomethyl)pyrrolidin-1-yl]-(2-phenylquinolin-4-yl)methanone?
The canonical SMILES for [3-(methylaminomethyl)pyrrolidin-1-yl]-(2-phenylquinolin-4-yl)methanone is CNCC1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)C1.
What is the InChIKey of [3-(methylaminomethyl)pyrrolidin-1-yl]-(2-phenylquinolin-4-yl)methanone?
The InChIKey is XIQOGMCNBDODBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-23-14-16-11-12-25(15-16)22(26)19-13-21(17-7-3-2-4-8-17)24-20-10-6-5-9-18(19)20/h2-10,13,16,23H,11-12,14-15H2,1H3.
What are the key properties of [3-(methylaminomethyl)pyrrolidin-1-yl]-(2-phenylquinolin-4-yl)methanone?
[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-phenylquinolin-4-yl)methanone has a molecular weight of 345.45 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylaminomethyl)pyrrolidin-1-yl]-(2-phenylquinolin-4-yl)methanone is sourced from PubChem (CID 119542238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).