[4-(ethylamino)quinolin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone

C16H19N3O2 — CID 63375602

IUPAC[4-(ethylamino)quinolin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone
SMILESCCNc1cc(C(=O)N2CCC(O)C2)nc2ccccc12
InChIInChI=1S/C16H19N3O2/c1-2-17-14-9-15(16(21)19-8-7-11(20)10-19)18-13-6-4-3-5-12(13)14/h3-6,9,11,20H,2,7-8,10H2,1H3,(H,17,18)
InChIKeyUNQBEJRKOOXTOB-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.87
Rot. Bonds3

About [4-(ethylamino)quinolin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone

[4-(ethylamino)quinolin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone (PubChem CID 63375602) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is [4-(ethylamino)quinolin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(ethylamino)quinolin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone
PubChem CID63375602
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name[4-(ethylamino)quinolin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone
SMILESCCNc1cc(C(=O)N2CCC(O)C2)nc2ccccc12
InChIInChI=1S/C16H19N3O2/c1-2-17-14-9-15(16(21)19-8-7-11(20)10-19)18-13-6-4-3-5-12(13)14/h3-6,9,11,20H,2,7-8,10H2,1H3,(H,17,18)
InChIKeyUNQBEJRKOOXTOB-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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Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)quinolin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone?
The IUPAC name of [4-(ethylamino)quinolin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone (CID 63375602) is [4-(ethylamino)quinolin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for [4-(ethylamino)quinolin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for [4-(ethylamino)quinolin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone is CCNc1cc(C(=O)N2CCC(O)C2)nc2ccccc12.
What is the InChIKey of [4-(ethylamino)quinolin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone?
The InChIKey is UNQBEJRKOOXTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-17-14-9-15(16(21)19-8-7-11(20)10-19)18-13-6-4-3-5-12(13)14/h3-6,9,11,20H,2,7-8,10H2,1H3,(H,17,18).
What are the key properties of [4-(ethylamino)quinolin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone?
[4-(ethylamino)quinolin-2-yl]-(3-hydroxypyrrolidin-1-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 [4-(ethylamino)quinolin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 63375602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).