[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(6-methoxyquinolin-2-yl)methanone

C18H23N3O2 — CID 71927992

IUPAC[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(6-methoxyquinolin-2-yl)methanone
SMILESCOc1ccc2nc(C(=O)N3CC(C)C(N(C)C)C3)ccc2c1
InChIInChI=1S/C18H23N3O2/c1-12-10-21(11-17(12)20(2)3)18(22)16-7-5-13-9-14(23-4)6-8-15(13)19-16/h5-9,12,17H,10-11H2,1-4H3
InChIKeyWQUROYOMUVGSLQ-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.27
Rot. Bonds3

About [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(6-methoxyquinolin-2-yl)methanone

[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(6-methoxyquinolin-2-yl)methanone (PubChem CID 71927992) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(6-methoxyquinolin-2-yl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(6-methoxyquinolin-2-yl)methanone
PubChem CID71927992
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(6-methoxyquinolin-2-yl)methanone
SMILESCOc1ccc2nc(C(=O)N3CC(C)C(N(C)C)C3)ccc2c1
InChIInChI=1S/C18H23N3O2/c1-12-10-21(11-17(12)20(2)3)18(22)16-7-5-13-9-14(23-4)6-8-15(13)19-16/h5-9,12,17H,10-11H2,1-4H3
InChIKeyWQUROYOMUVGSLQ-UHFFFAOYSA-N
XLogP2.27
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxypiperidin-1-yl)-(6-methoxyquinolin-2-yl)methanone
CID 56810636
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 71928000
(2-ethylmorpholin-4-yl)-(6-methoxyquinolin-2-yl)methanone
CID 146085525
[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 156604067
[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 110107932
(4-hydroxyphenyl)-[1-(6-methoxyquinoline-2-carbonyl)piperidin-4-yl]methanone
CID 78836706
N-[(2-hydroxycyclopentyl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide
CID 109399670
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(6-methoxyquinolin-2-yl)methanone
CID 42929431
N-butyl-1-(6-methoxyquinoline-2-carbonyl)piperidine-4-carboxamide
CID 86985203
[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273405
N-[(2R)-2-hydroxypropyl]-6-methoxy-N-methylquinoline-2-carboxamide
CID 95972027
2,3-dihydroindol-1-yl-(6-methoxyquinolin-2-yl)methanone
CID 33314487

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(6-methoxyquinolin-2-yl)methanone?
The IUPAC name of [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(6-methoxyquinolin-2-yl)methanone (CID 71927992) is [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(6-methoxyquinolin-2-yl)methanone.
What is the SMILES notation for [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(6-methoxyquinolin-2-yl)methanone?
The canonical SMILES for [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(6-methoxyquinolin-2-yl)methanone is COc1ccc2nc(C(=O)N3CC(C)C(N(C)C)C3)ccc2c1.
What is the InChIKey of [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(6-methoxyquinolin-2-yl)methanone?
The InChIKey is WQUROYOMUVGSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12-10-21(11-17(12)20(2)3)18(22)16-7-5-13-9-14(23-4)6-8-15(13)19-16/h5-9,12,17H,10-11H2,1-4H3.
What are the key properties of [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(6-methoxyquinolin-2-yl)methanone?
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(6-methoxyquinolin-2-yl)methanone has a molecular weight of 313.40 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(6-methoxyquinolin-2-yl)methanone is sourced from PubChem (CID 71927992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).