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

C16H15IN2O — CID 82705307

IUPAC(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-iodophenyl)methanone
SMILESNc1cccc2c1CCCN2C(=O)c1ccccc1I
InChIInChI=1S/C16H15IN2O/c17-13-7-2-1-5-11(13)16(20)19-10-4-6-12-14(18)8-3-9-15(12)19/h1-3,5,7-9H,4,6,10,18H2
InChIKeyLQNJDGIXDYODOV-UHFFFAOYSA-N
MW378.21 g/mol
LogP3.47
Rot. Bonds1

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

(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-iodophenyl)methanone (PubChem CID 82705307) has the molecular formula C16H15IN2O and a molecular weight of 378.21 g/mol. Its IUPAC name is (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-iodophenyl)methanone.

Molecular Properties

Compound Name(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-iodophenyl)methanone
PubChem CID82705307
Molecular FormulaC16H15IN2O
Molecular Weight378.21 g/mol
Exact Mass378.02
IUPAC Name(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-iodophenyl)methanone
SMILESNc1cccc2c1CCCN2C(=O)c1ccccc1I
InChIInChI=1S/C16H15IN2O/c17-13-7-2-1-5-11(13)16(20)19-10-4-6-12-14(18)8-3-9-15(12)19/h1-3,5,7-9H,4,6,10,18H2
InChIKeyLQNJDGIXDYODOV-UHFFFAOYSA-N
XLogP3.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.21
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 82706052
(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)-(2,6-dichlorophenyl)methanone
CID 82744828
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-chloro-2-fluorophenyl)methanone
CID 82711974
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-bromo-2-methylphenyl)methanone
CID 82711971
(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-bromo-5-fluorophenyl)methanone
CID 82711987
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
CID 82706431
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-4-fluorophenyl)methanone
CID 82712007
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone
CID 82706050
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-piperidin-1-ylmethanone
CID 82761808
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 82706528

Frequently Asked Questions

What is the IUPAC name of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-iodophenyl)methanone?
The IUPAC name of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-iodophenyl)methanone (CID 82705307) is (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-iodophenyl)methanone.
What is the SMILES notation for (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-iodophenyl)methanone?
The canonical SMILES for (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-iodophenyl)methanone is Nc1cccc2c1CCCN2C(=O)c1ccccc1I.
What is the InChIKey of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-iodophenyl)methanone?
The InChIKey is LQNJDGIXDYODOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN2O/c17-13-7-2-1-5-11(13)16(20)19-10-4-6-12-14(18)8-3-9-15(12)19/h1-3,5,7-9H,4,6,10,18H2.
What are the key properties of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-iodophenyl)methanone?
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-iodophenyl)methanone has a molecular weight of 378.21 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-iodophenyl)methanone is sourced from PubChem (CID 82705307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).