6-[amino-(5-iodothiophen-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one

C14H13IN2OS — CID 79685089

IUPAC6-[amino-(5-iodothiophen-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESNC(c1csc(I)c1)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H13IN2OS/c15-12-6-10(7-19-12)14(16)9-1-3-11-8(5-9)2-4-13(18)17-11/h1,3,5-7,14H,2,4,16H2,(H,17,18)
InChIKeyMWILWYIFVPXTPB-UHFFFAOYSA-N
MW384.24 g/mol
LogP3.29
Rot. Bonds2

About 6-[amino-(5-iodothiophen-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one

6-[amino-(5-iodothiophen-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 79685089) has the molecular formula C14H13IN2OS and a molecular weight of 384.24 g/mol. Its IUPAC name is 6-[amino-(5-iodothiophen-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[amino-(5-iodothiophen-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID79685089
Molecular FormulaC14H13IN2OS
Molecular Weight384.24 g/mol
Exact Mass383.98
IUPAC Name6-[amino-(5-iodothiophen-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESNC(c1csc(I)c1)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H13IN2OS/c15-12-6-10(7-19-12)14(16)9-1-3-11-8(5-9)2-4-13(18)17-11/h1,3,5-7,14H,2,4,16H2,(H,17,18)
InChIKeyMWILWYIFVPXTPB-UHFFFAOYSA-N
XLogP3.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.24
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116939160
6-[amino-(5-bromofuran-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 43464148
6-[amino-(3-bromothiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 63798074
6-[amino-(4,5-dibromothiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 80536155
6-[amino-(3-bromo-5-chlorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 107950188
6-[amino-(5-bromo-4-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 79981205
2-amino-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetonitrile
CID 116851011
7-[amino-(4-chlorophenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43342872
3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanamine
CID 79693199
6-[amino-(5-bromo-2-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 65308230
7-[amino-(5-chlorothiophen-2-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 62277824
6-[amino-(4-bromo-2-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 43629721

Frequently Asked Questions

What is the IUPAC name of 6-[amino-(5-iodothiophen-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[amino-(5-iodothiophen-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one (CID 79685089) is 6-[amino-(5-iodothiophen-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[amino-(5-iodothiophen-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[amino-(5-iodothiophen-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one is NC(c1csc(I)c1)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-[amino-(5-iodothiophen-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is MWILWYIFVPXTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN2OS/c15-12-6-10(7-19-12)14(16)9-1-3-11-8(5-9)2-4-13(18)17-11/h1,3,5-7,14H,2,4,16H2,(H,17,18).
What are the key properties of 6-[amino-(5-iodothiophen-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
6-[amino-(5-iodothiophen-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 384.24 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino-(5-iodothiophen-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 79685089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).