(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2-chlorofuran-3-yl)methanone

C14H13ClN2O2 — CID 106683250

IUPAC(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2-chlorofuran-3-yl)methanone
SMILESNc1ccc2c(c1)CN(C(=O)c1ccoc1Cl)CC2
InChIInChI=1S/C14H13ClN2O2/c15-13-12(4-6-19-13)14(18)17-5-3-9-1-2-11(16)7-10(9)8-17/h1-2,4,6-7H,3,5,8,16H2
InChIKeyLGVNSALKHHMGPT-UHFFFAOYSA-N
MW276.72 g/mol
LogP2.71
Rot. Bonds1

About (7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2-chlorofuran-3-yl)methanone

(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2-chlorofuran-3-yl)methanone (PubChem CID 106683250) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is (7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2-chlorofuran-3-yl)methanone.

Molecular Properties

Compound Name(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2-chlorofuran-3-yl)methanone
PubChem CID106683250
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2-chlorofuran-3-yl)methanone
SMILESNc1ccc2c(c1)CN(C(=O)c1ccoc1Cl)CC2
InChIInChI=1S/C14H13ClN2O2/c15-13-12(4-6-19-13)14(18)17-5-3-9-1-2-11(16)7-10(9)8-17/h1-2,4,6-7H,3,5,8,16H2
InChIKeyLGVNSALKHHMGPT-UHFFFAOYSA-N
XLogP2.71
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2-chlorofuran-3-yl)methanone with MolForge

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Related Compounds

(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2-chloro-4-methylphenyl)methanone
CID 106860424
(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2,5-dihydroxyphenyl)methanone
CID 107721490
(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(3,6-dimethylpyridazin-4-yl)methanone
CID 104669275
(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 28707219
1-(2-chlorofuran-3-carbonyl)piperidin-3-one
CID 106685034
(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(4-tert-butylphenyl)methanone
CID 28707230
(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(5-fluoro-3-pyridinyl)methanone
CID 104785439
(3-amino-2-chlorophenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 115930372
(3-aminophenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 60962963
(2,5-dihydroxyphenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 107724119
1-(2-chlorofuran-3-carbonyl)-1,4-diazepan-5-one
CID 106686783
furan-2-yl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 47284651

Frequently Asked Questions

What is the IUPAC name of (7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2-chlorofuran-3-yl)methanone?
The IUPAC name of (7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2-chlorofuran-3-yl)methanone (CID 106683250) is (7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2-chlorofuran-3-yl)methanone.
What is the SMILES notation for (7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2-chlorofuran-3-yl)methanone?
The canonical SMILES for (7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2-chlorofuran-3-yl)methanone is Nc1ccc2c(c1)CN(C(=O)c1ccoc1Cl)CC2.
What is the InChIKey of (7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2-chlorofuran-3-yl)methanone?
The InChIKey is LGVNSALKHHMGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-13-12(4-6-19-13)14(18)17-5-3-9-1-2-11(16)7-10(9)8-17/h1-2,4,6-7H,3,5,8,16H2.
What are the key properties of (7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2-chlorofuran-3-yl)methanone?
(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2-chlorofuran-3-yl)methanone has a molecular weight of 276.72 g/mol, XLogP of 2.71, 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-1H-isoquinolin-2-yl)-(2-chlorofuran-3-yl)methanone is sourced from PubChem (CID 106683250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).