[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(methylamino)quinolin-4-yl]methanone

C16H19N3O2 — CID 62173431

IUPAC[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(methylamino)quinolin-4-yl]methanone
SMILESCNc1cc(C(=O)N2CCCC2CO)c2ccccc2n1
InChIInChI=1S/C16H19N3O2/c1-17-15-9-13(12-6-2-3-7-14(12)18-15)16(21)19-8-4-5-11(19)10-20/h2-3,6-7,9,11,20H,4-5,8,10H2,1H3,(H,17,18)
InChIKeyZQERDQURVLBXFB-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.87
Rot. Bonds3

About [2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(methylamino)quinolin-4-yl]methanone

[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(methylamino)quinolin-4-yl]methanone (PubChem CID 62173431) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is [2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(methylamino)quinolin-4-yl]methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(methylamino)quinolin-4-yl]methanone
PubChem CID62173431
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(methylamino)quinolin-4-yl]methanone
SMILESCNc1cc(C(=O)N2CCCC2CO)c2ccccc2n1
InChIInChI=1S/C16H19N3O2/c1-17-15-9-13(12-6-2-3-7-14(12)18-15)16(21)19-8-4-5-11(19)10-20/h2-3,6-7,9,11,20H,4-5,8,10H2,1H3,(H,17,18)
InChIKeyZQERDQURVLBXFB-UHFFFAOYSA-N
XLogP1.87
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chloroquinolin-4-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107877398
[2-(dimethylamino)quinolin-4-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99698521
[2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 81485630
[2-(methylamino)quinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 62170916
(2-chloroquinolin-4-yl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60973317
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-naphthalen-1-ylmethanone
CID 14622137
[2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(methylamino)-3-pyridinyl]methanone
CID 62173422
(3,4-dihydroxypyrrolidin-1-yl)-[2-(methylamino)quinolin-4-yl]methanone
CID 106673774
[2-(ethoxymethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 72873922
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-isoquinolin-4-ylmethanone
CID 97246459
(3,4-dimethylpyrrolidin-1-yl)-[2-(methylamino)quinolin-4-yl]methanone
CID 79179423
[2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
CID 119632453

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(methylamino)quinolin-4-yl]methanone?
The IUPAC name of [2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(methylamino)quinolin-4-yl]methanone (CID 62173431) is [2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(methylamino)quinolin-4-yl]methanone.
What is the SMILES notation for [2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(methylamino)quinolin-4-yl]methanone?
The canonical SMILES for [2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(methylamino)quinolin-4-yl]methanone is CNc1cc(C(=O)N2CCCC2CO)c2ccccc2n1.
What is the InChIKey of [2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(methylamino)quinolin-4-yl]methanone?
The InChIKey is ZQERDQURVLBXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-17-15-9-13(12-6-2-3-7-14(12)18-15)16(21)19-8-4-5-11(19)10-20/h2-3,6-7,9,11,20H,4-5,8,10H2,1H3,(H,17,18).
What are the key properties of [2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(methylamino)quinolin-4-yl]methanone?
[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(methylamino)quinolin-4-yl]methanone has a molecular weight of 285.35 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(methylamino)quinolin-4-yl]methanone is sourced from PubChem (CID 62173431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).