(2-aminoquinolin-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone

C15H17N3O3 — CID 81213722

IUPAC(2-aminoquinolin-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESNc1cc(C(=O)N2CCOC(CO)C2)c2ccccc2n1
InChIInChI=1S/C15H17N3O3/c16-14-7-12(11-3-1-2-4-13(11)17-14)15(20)18-5-6-21-10(8-18)9-19/h1-4,7,10,19H,5-6,8-9H2,(H2,16,17)
InChIKeyUVHRTIXYBCVLGZ-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.65
Rot. Bonds2

About (2-aminoquinolin-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone

(2-aminoquinolin-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone (PubChem CID 81213722) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is (2-aminoquinolin-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-aminoquinolin-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
PubChem CID81213722
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name(2-aminoquinolin-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESNc1cc(C(=O)N2CCOC(CO)C2)c2ccccc2n1
InChIInChI=1S/C15H17N3O3/c16-14-7-12(11-3-1-2-4-13(11)17-14)15(20)18-5-6-21-10(8-18)9-19/h1-4,7,10,19H,5-6,8-9H2,(H2,16,17)
InChIKeyUVHRTIXYBCVLGZ-UHFFFAOYSA-N
XLogP0.65
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-aminoquinolin-4-yl)-(1,4-oxazepan-4-yl)methanone
CID 62967322
(2-bromophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203060
(2-aminoquinolin-4-yl)-(azepan-1-yl)methanone
CID 62154164
1-benzofuran-2-yl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208517
(4-amino-2-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81205390
(2-amino-5-bromo-4-pyridinyl)-(2-ethylmorpholin-4-yl)methanone
CID 114193900
(2,3-dihydroxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 114344564
4-(2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid
CID 119358047
(2-bromo-3-methylphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 103855429
(2-aminoquinolin-4-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81109203
[2-(hydroxymethyl)morpholin-4-yl]-quinolin-8-ylmethanone
CID 81208124
(2R)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone
CID 81203556

Frequently Asked Questions

What is the IUPAC name of (2-aminoquinolin-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The IUPAC name of (2-aminoquinolin-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone (CID 81213722) is (2-aminoquinolin-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (2-aminoquinolin-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for (2-aminoquinolin-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone is Nc1cc(C(=O)N2CCOC(CO)C2)c2ccccc2n1.
What is the InChIKey of (2-aminoquinolin-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The InChIKey is UVHRTIXYBCVLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c16-14-7-12(11-3-1-2-4-13(11)17-14)15(20)18-5-6-21-10(8-18)9-19/h1-4,7,10,19H,5-6,8-9H2,(H2,16,17).
What are the key properties of (2-aminoquinolin-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
(2-aminoquinolin-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone has a molecular weight of 287.32 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminoquinolin-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 81213722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).