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

C16H18N2O2 — CID 82706143

IUPAC(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-ethylfuran-2-yl)methanone
SMILESCCc1ccc(C(=O)N2CCCc3c(N)cccc32)o1
InChIInChI=1S/C16H18N2O2/c1-2-11-8-9-15(20-11)16(19)18-10-4-5-12-13(17)6-3-7-14(12)18/h3,6-9H,2,4-5,10,17H2,1H3
InChIKeyMRKKITOUDOKMGD-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.02
Rot. Bonds2

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

(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-ethylfuran-2-yl)methanone (PubChem CID 82706143) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-ethylfuran-2-yl)methanone.

Molecular Properties

Compound Name(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-ethylfuran-2-yl)methanone
PubChem CID82706143
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-ethylfuran-2-yl)methanone
SMILESCCc1ccc(C(=O)N2CCCc3c(N)cccc32)o1
InChIInChI=1S/C16H18N2O2/c1-2-11-8-9-15(20-11)16(19)18-10-4-5-12-13(17)6-3-7-14(12)18/h3,6-9H,2,4-5,10,17H2,1H3
InChIKeyMRKKITOUDOKMGD-UHFFFAOYSA-N
XLogP3.02
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-ethylfuran-2-yl)methanone with MolForge

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Related Compounds

(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(furan-3-yl)methanone
CID 82704663
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,6-dichlorophenyl)methanone
CID 82744828
1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-one
CID 82705400
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-methylthiophen-3-yl)methanone
CID 82707193
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-chloro-1-ethylpyrrol-2-yl)methanone
CID 82745168
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 82706528
[5-(chloromethyl)furan-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 82109788
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-iodophenyl)methanone
CID 82705307
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(1-methylcyclohexyl)methanone
CID 106828103
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-piperidin-1-ylmethanone
CID 82761808
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone
CID 82744475
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-bromo-2-methylphenyl)methanone
CID 82711971

Frequently Asked Questions

What is the IUPAC name of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-ethylfuran-2-yl)methanone?
The IUPAC name of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-ethylfuran-2-yl)methanone (CID 82706143) is (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-ethylfuran-2-yl)methanone.
What is the SMILES notation for (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-ethylfuran-2-yl)methanone?
The canonical SMILES for (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-ethylfuran-2-yl)methanone is CCc1ccc(C(=O)N2CCCc3c(N)cccc32)o1.
What is the InChIKey of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-ethylfuran-2-yl)methanone?
The InChIKey is MRKKITOUDOKMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-11-8-9-15(20-11)16(19)18-10-4-5-12-13(17)6-3-7-14(12)18/h3,6-9H,2,4-5,10,17H2,1H3.
What are the key properties of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-ethylfuran-2-yl)methanone?
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-ethylfuran-2-yl)methanone has a molecular weight of 270.33 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-ethylfuran-2-yl)methanone is sourced from PubChem (CID 82706143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).