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

C16H15IN2O — CID 62266196

IUPAC(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-iodophenyl)methanone
SMILESNc1ccc2c(c1)N(C(=O)c1cccc(I)c1)CCC2
InChIInChI=1S/C16H15IN2O/c17-13-5-1-3-12(9-13)16(20)19-8-2-4-11-6-7-14(18)10-15(11)19/h1,3,5-7,9-10H,2,4,8,18H2
InChIKeyQGEQSJWOQXAFGN-UHFFFAOYSA-N
MW378.21 g/mol
LogP3.47
Rot. Bonds1

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

(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-iodophenyl)methanone (PubChem CID 62266196) has the molecular formula C16H15IN2O and a molecular weight of 378.21 g/mol. Its IUPAC name is (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-iodophenyl)methanone.

Molecular Properties

Compound Name(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-iodophenyl)methanone
PubChem CID62266196
Molecular FormulaC16H15IN2O
Molecular Weight378.21 g/mol
Exact Mass378.02
IUPAC Name(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-iodophenyl)methanone
SMILESNc1ccc2c(c1)N(C(=O)c1cccc(I)c1)CCC2
InChIInChI=1S/C16H15IN2O/c17-13-5-1-3-12(9-13)16(20)19-8-2-4-11-6-7-14(18)10-15(11)19/h1,3,5-7,9-10H,2,4,8,18H2
InChIKeyQGEQSJWOQXAFGN-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

(6-amino-2,3-dihydroindol-1-yl)-(3-iodophenyl)methanone
CID 28978839
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone
CID 28707170
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,6-dihydroxyphenyl)methanone
CID 107687651
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chloro-4-hydroxyphenyl)methanone
CID 62266720
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 62265851
(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2984117
1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 28707153
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,4-dimethylphenyl)methanone
CID 62266897
ethyl 7-amino-3,4-dihydro-2H-quinoline-1-carboxylate
CID 62265682
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclobutylmethanone
CID 55055284
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 62266900
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-4-chlorophenyl)methanone
CID 107986323

Frequently Asked Questions

What is the IUPAC name of (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-iodophenyl)methanone?
The IUPAC name of (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-iodophenyl)methanone (CID 62266196) is (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-iodophenyl)methanone.
What is the SMILES notation for (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-iodophenyl)methanone?
The canonical SMILES for (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-iodophenyl)methanone is Nc1ccc2c(c1)N(C(=O)c1cccc(I)c1)CCC2.
What is the InChIKey of (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-iodophenyl)methanone?
The InChIKey is QGEQSJWOQXAFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN2O/c17-13-5-1-3-12(9-13)16(20)19-8-2-4-11-6-7-14(18)10-15(11)19/h1,3,5-7,9-10H,2,4,8,18H2.
What are the key properties of (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-iodophenyl)methanone?
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-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 (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-iodophenyl)methanone is sourced from PubChem (CID 62266196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).