(3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(methylamino)quinolin-2-yl]methanone

C16H19N3O2 — CID 103358198

IUPAC(3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(methylamino)quinolin-2-yl]methanone
SMILESCNc1cc(C(=O)N2CCC(C)(O)C2)nc2ccccc12
InChIInChI=1S/C16H19N3O2/c1-16(21)7-8-19(10-16)15(20)14-9-13(17-2)11-5-3-4-6-12(11)18-14/h3-6,9,21H,7-8,10H2,1-2H3,(H,17,18)
InChIKeyJGVXHHDHHLRSAJ-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.87
Rot. Bonds2

About (3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(methylamino)quinolin-2-yl]methanone

(3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(methylamino)quinolin-2-yl]methanone (PubChem CID 103358198) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(methylamino)quinolin-2-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(methylamino)quinolin-2-yl]methanone
PubChem CID103358198
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(methylamino)quinolin-2-yl]methanone
SMILESCNc1cc(C(=O)N2CCC(C)(O)C2)nc2ccccc12
InChIInChI=1S/C16H19N3O2/c1-16(21)7-8-19(10-16)15(20)14-9-13(17-2)11-5-3-4-6-12(11)18-14/h3-6,9,21H,7-8,10H2,1-2H3,(H,17,18)
InChIKeyJGVXHHDHHLRSAJ-UHFFFAOYSA-N
XLogP1.87
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
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

(4-hydrazinylquinolin-2-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103358352
(3-hydroxy-3-methylpyrrolidin-1-yl)-quinoxalin-2-ylmethanone
CID 103727060
(4-chloroquinolin-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096876
(3-hydroxy-3-methylpyrrolidin-1-yl)-naphthalen-1-ylmethanone
CID 103726762
(2-aminoquinolin-4-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81109203
(4-hydrazinylquinolin-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 63375065
N-cyclopropyl-N-ethyl-4-(methylamino)quinoline-2-carboxamide
CID 63375436
(5-bromo-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103727006
(4-hydrazinylquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone
CID 63375198
4-(methylamino)-N-(2-methylpyrazol-3-yl)quinoline-2-carboxamide
CID 63375551
4-(methylamino)-N-(1,2,4-triazin-3-yl)quinoline-2-carboxamide
CID 114389478
[4-(ethylamino)quinolin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 63375602

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(methylamino)quinolin-2-yl]methanone?
The IUPAC name of (3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(methylamino)quinolin-2-yl]methanone (CID 103358198) is (3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(methylamino)quinolin-2-yl]methanone.
What is the SMILES notation for (3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(methylamino)quinolin-2-yl]methanone?
The canonical SMILES for (3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(methylamino)quinolin-2-yl]methanone is CNc1cc(C(=O)N2CCC(C)(O)C2)nc2ccccc12.
What is the InChIKey of (3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(methylamino)quinolin-2-yl]methanone?
The InChIKey is JGVXHHDHHLRSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-16(21)7-8-19(10-16)15(20)14-9-13(17-2)11-5-3-4-6-12(11)18-14/h3-6,9,21H,7-8,10H2,1-2H3,(H,17,18).
What are the key properties of (3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(methylamino)quinolin-2-yl]methanone?
(3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(methylamino)quinolin-2-yl]methanone has a molecular weight of 285.35 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(methylamino)quinolin-2-yl]methanone is sourced from PubChem (CID 103358198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).