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

C14H14N2O2 — CID 82704663

IUPAC(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(furan-3-yl)methanone
SMILESNc1cccc2c1CCCN2C(=O)c1ccoc1
InChIInChI=1S/C14H14N2O2/c15-12-4-1-5-13-11(12)3-2-7-16(13)14(17)10-6-8-18-9-10/h1,4-6,8-9H,2-3,7,15H2
InChIKeyMAIHGGKKIBVLMV-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.45
Rot. Bonds1

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

(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(furan-3-yl)methanone (PubChem CID 82704663) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(furan-3-yl)methanone.

Molecular Properties

Compound Name(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(furan-3-yl)methanone
PubChem CID82704663
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(furan-3-yl)methanone
SMILESNc1cccc2c1CCCN2C(=O)c1ccoc1
InChIInChI=1S/C14H14N2O2/c15-12-4-1-5-13-11(12)3-2-7-16(13)14(17)10-6-8-18-9-10/h1,4-6,8-9H,2-3,7,15H2
InChIKeyMAIHGGKKIBVLMV-UHFFFAOYSA-N
XLogP2.45
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.45
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 (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(furan-3-yl)methanone?
The IUPAC name of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(furan-3-yl)methanone (CID 82704663) is (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(furan-3-yl)methanone.
What is the SMILES notation for (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(furan-3-yl)methanone?
The canonical SMILES for (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(furan-3-yl)methanone is Nc1cccc2c1CCCN2C(=O)c1ccoc1.
What is the InChIKey of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(furan-3-yl)methanone?
The InChIKey is MAIHGGKKIBVLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c15-12-4-1-5-13-11(12)3-2-7-16(13)14(17)10-6-8-18-9-10/h1,4-6,8-9H,2-3,7,15H2.
What are the key properties of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(furan-3-yl)methanone?
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(furan-3-yl)methanone has a molecular weight of 242.28 g/mol, XLogP of 2.45, 1 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)-(furan-3-yl)methanone is sourced from PubChem (CID 82704663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).