N-benzyl-2-chloro-7-fluoroquinolin-4-amine

C16H12ClFN2 — CID 130992176

IUPACN-benzyl-2-chloro-7-fluoroquinolin-4-amine
SMILESFc1ccc2c(NCc3ccccc3)cc(Cl)nc2c1
InChIInChI=1S/C16H12ClFN2/c17-16-9-14(19-10-11-4-2-1-3-5-11)13-7-6-12(18)8-15(13)20-16/h1-9H,10H2,(H,19,20)
InChIKeyPTVHCCMAOQWAIA-UHFFFAOYSA-N
MW286.74 g/mol
LogP4.64
Rot. Bonds3

About N-benzyl-2-chloro-7-fluoroquinolin-4-amine

N-benzyl-2-chloro-7-fluoroquinolin-4-amine (PubChem CID 130992176) has the molecular formula C16H12ClFN2 and a molecular weight of 286.74 g/mol. Its IUPAC name is N-benzyl-2-chloro-7-fluoroquinolin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-chloro-7-fluoroquinolin-4-amine
PubChem CID130992176
Molecular FormulaC16H12ClFN2
Molecular Weight286.74 g/mol
Exact Mass286.07
IUPAC NameN-benzyl-2-chloro-7-fluoroquinolin-4-amine
SMILESFc1ccc2c(NCc3ccccc3)cc(Cl)nc2c1
InChIInChI=1S/C16H12ClFN2/c17-16-9-14(19-10-11-4-2-1-3-5-11)13-7-6-12(18)8-15(13)20-16/h1-9H,10H2,(H,19,20)
InChIKeyPTVHCCMAOQWAIA-UHFFFAOYSA-N
XLogP4.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-4-(benzylamino)-7-chloroquinoline-2-carboxamide
CID 1047229
2-[4-[(4-fluorophenyl)methylamino]quinolin-2-yl]acetic acid
CID 110432713
N-benzyl-7-fluoro-2-pyridin-3-ylquinazolin-4-amine;dihydrochloride
CID 19392183
N-[(4-ethylphenyl)methyl]-2-methylquinolin-4-amine
CID 106900074
2-(5-chloro-2-fluorophenyl)-N-(pyridin-3-ylmethyl)quinolin-4-amine
CID 70660144
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-chloroquinoline-4-carboxylate
CID 9009259
2-chloro-5-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline
CID 103697091
4-N-benzyl-6-chloro-3-methanimidoylpyridine-2,4-diamine
CID 163716173
N-benzyl-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 4190856
N-benzyl-2,6-dimethylquinolin-4-amine
CID 719873
N-benzyl-4-chloroquinolin-2-amine
CID 146441058
N-benzyl-6-chloro-4-iodopyridin-2-amine
CID 87184942

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chloro-7-fluoroquinolin-4-amine?
The IUPAC name of N-benzyl-2-chloro-7-fluoroquinolin-4-amine (CID 130992176) is N-benzyl-2-chloro-7-fluoroquinolin-4-amine.
What is the SMILES notation for N-benzyl-2-chloro-7-fluoroquinolin-4-amine?
The canonical SMILES for N-benzyl-2-chloro-7-fluoroquinolin-4-amine is Fc1ccc2c(NCc3ccccc3)cc(Cl)nc2c1.
What is the InChIKey of N-benzyl-2-chloro-7-fluoroquinolin-4-amine?
The InChIKey is PTVHCCMAOQWAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2/c17-16-9-14(19-10-11-4-2-1-3-5-11)13-7-6-12(18)8-15(13)20-16/h1-9H,10H2,(H,19,20).
What are the key properties of N-benzyl-2-chloro-7-fluoroquinolin-4-amine?
N-benzyl-2-chloro-7-fluoroquinolin-4-amine has a molecular weight of 286.74 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-7-fluoroquinolin-4-amine is sourced from PubChem (CID 130992176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).