(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methyloxolan-3-yl)methanone

C15H20N2O2 — CID 114824255

IUPAC(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methyloxolan-3-yl)methanone
SMILESCC1CC(C(=O)N2CCCc3ccc(N)cc32)CO1
InChIInChI=1S/C15H20N2O2/c1-10-7-12(9-19-10)15(18)17-6-2-3-11-4-5-13(16)8-14(11)17/h4-5,8,10,12H,2-3,6-7,9,16H2,1H3
InChIKeyLBHDURMBSCAHFY-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.97
Rot. Bonds1

About (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methyloxolan-3-yl)methanone

(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methyloxolan-3-yl)methanone (PubChem CID 114824255) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methyloxolan-3-yl)methanone
PubChem CID114824255
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methyloxolan-3-yl)methanone
SMILESCC1CC(C(=O)N2CCCc3ccc(N)cc32)CO1
InChIInChI=1S/C15H20N2O2/c1-10-7-12(9-19-10)15(18)17-6-2-3-11-4-5-13(16)8-14(11)17/h4-5,8,10,12H,2-3,6-7,9,16H2,1H3
InChIKeyLBHDURMBSCAHFY-UHFFFAOYSA-N
XLogP1.97
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methyloxolan-3-yl)methanone?
The IUPAC name of (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methyloxolan-3-yl)methanone (CID 114824255) is (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methyloxolan-3-yl)methanone.
What is the SMILES notation for (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methyloxolan-3-yl)methanone?
The canonical SMILES for (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methyloxolan-3-yl)methanone is CC1CC(C(=O)N2CCCc3ccc(N)cc32)CO1.
What is the InChIKey of (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methyloxolan-3-yl)methanone?
The InChIKey is LBHDURMBSCAHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10-7-12(9-19-10)15(18)17-6-2-3-11-4-5-13(16)8-14(11)17/h4-5,8,10,12H,2-3,6-7,9,16H2,1H3.
What are the key properties of (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methyloxolan-3-yl)methanone?
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methyloxolan-3-yl)methanone has a molecular weight of 260.34 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methyloxolan-3-yl)methanone is sourced from PubChem (CID 114824255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).