N-(7,8-difluoroquinolin-3-yl)acetamide;rhenium

C11H7F2N2ORe- — CID 155733605

IUPACN-(7,8-difluoroquinolin-3-yl)acetamide;rhenium
SMILES[CH2-]C(=O)Nc1cnc2c(F)c(F)ccc2c1.[Re]
InChIInChI=1S/C11H7F2N2O.Re/c1-6(16)15-8-4-7-2-3-9(12)10(13)11(7)14-5-8;/h2-5H,1H2,(H,15,16);/q-1;
InChIKeyOVVMTXIPSFJNSH-UHFFFAOYSA-N
MW407.39 g/mol
LogP2.28
Rot. Bonds1

About N-(7,8-difluoroquinolin-3-yl)acetamide;rhenium

N-(7,8-difluoroquinolin-3-yl)acetamide;rhenium (PubChem CID 155733605) has the molecular formula C11H7F2N2ORe- and a molecular weight of 407.39 g/mol. Its IUPAC name is N-(7,8-difluoroquinolin-3-yl)acetamide;rhenium.

Molecular Properties

Compound NameN-(7,8-difluoroquinolin-3-yl)acetamide;rhenium
PubChem CID155733605
Molecular FormulaC11H7F2N2ORe-
Molecular Weight407.39 g/mol
Exact Mass408.01
IUPAC NameN-(7,8-difluoroquinolin-3-yl)acetamide;rhenium
SMILES[CH2-]C(=O)Nc1cnc2c(F)c(F)ccc2c1.[Re]
InChIInChI=1S/C11H7F2N2O.Re/c1-6(16)15-8-4-7-2-3-9(12)10(13)11(7)14-5-8;/h2-5H,1H2,(H,15,16);/q-1;
InChIKeyOVVMTXIPSFJNSH-UHFFFAOYSA-N
XLogP2.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7,8-difluoro-N-methylquinoline-3-carboxamide
CID 110490026
N-(2-aminoethyl)-7,8-difluoroquinoline-3-carboxamide
CID 110490033
7,8-difluoro-N-prop-2-enylquinoline-3-carboxamide
CID 110490035
7,8-difluoro-N-(2-hydroxypropyl)quinoline-3-carboxamide
CID 110490043
7,8-difluoro-3-propan-2-ylquinoline
CID 168882990
7,8-difluoroquinoline-3-carbothialdehyde;ethane
CID 142890339
N-(5-bromo-6-chloro-3-pyridinyl)-2,3,4-trifluorobenzamide
CID 104624666
N-butyl-7,8-difluoro-N-methylquinoline-3-carboxamide
CID 110490062
N-(8-fluoroquinolin-3-yl)-4-methylpiperazine-1-carboxamide
CID 155961191
N-(4,4-difluoro-2-methyl-1-phenylbutan-2-yl)oxy-7,8-difluoroquinolin-3-amine
CID 138474823
N-(8-fluoroquinolin-3-yl)-4-(1H-pyrazol-4-yl)benzamide
CID 154795411
N-[(2S)-2,4-dimethyl-1-phenylpentan-2-yl]-7,8-difluoroquinoline-3-carboxamide
CID 130421223

Frequently Asked Questions

What is the IUPAC name of N-(7,8-difluoroquinolin-3-yl)acetamide;rhenium?
The IUPAC name of N-(7,8-difluoroquinolin-3-yl)acetamide;rhenium (CID 155733605) is N-(7,8-difluoroquinolin-3-yl)acetamide;rhenium.
What is the SMILES notation for N-(7,8-difluoroquinolin-3-yl)acetamide;rhenium?
The canonical SMILES for N-(7,8-difluoroquinolin-3-yl)acetamide;rhenium is [CH2-]C(=O)Nc1cnc2c(F)c(F)ccc2c1.[Re].
What is the InChIKey of N-(7,8-difluoroquinolin-3-yl)acetamide;rhenium?
The InChIKey is OVVMTXIPSFJNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N2O.Re/c1-6(16)15-8-4-7-2-3-9(12)10(13)11(7)14-5-8;/h2-5H,1H2,(H,15,16);/q-1;.
What are the key properties of N-(7,8-difluoroquinolin-3-yl)acetamide;rhenium?
N-(7,8-difluoroquinolin-3-yl)acetamide;rhenium has a molecular weight of 407.39 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,8-difluoroquinolin-3-yl)acetamide;rhenium is sourced from PubChem (CID 155733605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).