4,7-dichloro-8-fluoroquinolin-3-amine

C9H5Cl2FN2 — CID 102614171

IUPAC4,7-dichloro-8-fluoroquinolin-3-amine
SMILESNc1cnc2c(F)c(Cl)ccc2c1Cl
InChIInChI=1S/C9H5Cl2FN2/c10-5-2-1-4-7(11)6(13)3-14-9(4)8(5)12/h1-3H,13H2
InChIKeyVKNVXRSSBDSLDE-UHFFFAOYSA-N
MW231.06 g/mol
LogP3.26
Rot. Bonds

About 4,7-dichloro-8-fluoroquinolin-3-amine

4,7-dichloro-8-fluoroquinolin-3-amine (PubChem CID 102614171) has the molecular formula C9H5Cl2FN2 and a molecular weight of 231.06 g/mol. Its IUPAC name is 4,7-dichloro-8-fluoroquinolin-3-amine.

Molecular Properties

Compound Name4,7-dichloro-8-fluoroquinolin-3-amine
PubChem CID102614171
Molecular FormulaC9H5Cl2FN2
Molecular Weight231.06 g/mol
Exact Mass229.98
IUPAC Name4,7-dichloro-8-fluoroquinolin-3-amine
SMILESNc1cnc2c(F)c(Cl)ccc2c1Cl
InChIInChI=1S/C9H5Cl2FN2/c10-5-2-1-4-7(11)6(13)3-14-9(4)8(5)12/h1-3H,13H2
InChIKeyVKNVXRSSBDSLDE-UHFFFAOYSA-N
XLogP3.26
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.06
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-8-fluoro-4-hydrazinylquinoline-3-carbonitrile
CID 62251972
7-chloro-8-fluoro-2-methylquinolin-4-amine
CID 55136152
4-chloro-8-phenylquinolin-3-amine
CID 102614156
3,6-dichloro-2-fluoroaniline
CID 46737655
6-chloro-5-fluoroisoquinolin-1-amine
CID 114489502
4-chloro-8-(methoxymethyl)quinolin-3-amine
CID 102614193
4-chloro-3,7-dimethylquinolin-8-amine
CID 125425329
3,8-dibromo-4,7-dichloroquinoline
CID 103481167
4-chloro-5-fluoro-8-methoxyquinolin-3-amine
CID 157041127
4,7-dichloro-8-fluoro-2-methylquinoline
CID 43668400
8-chloro-5-fluoroisoquinolin-3-amine
CID 53419050
6-chloro-5-fluoroisoquinolin-4-amine
CID 164921894

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-8-fluoroquinolin-3-amine?
The IUPAC name of 4,7-dichloro-8-fluoroquinolin-3-amine (CID 102614171) is 4,7-dichloro-8-fluoroquinolin-3-amine.
What is the SMILES notation for 4,7-dichloro-8-fluoroquinolin-3-amine?
The canonical SMILES for 4,7-dichloro-8-fluoroquinolin-3-amine is Nc1cnc2c(F)c(Cl)ccc2c1Cl.
What is the InChIKey of 4,7-dichloro-8-fluoroquinolin-3-amine?
The InChIKey is VKNVXRSSBDSLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2FN2/c10-5-2-1-4-7(11)6(13)3-14-9(4)8(5)12/h1-3H,13H2.
What are the key properties of 4,7-dichloro-8-fluoroquinolin-3-amine?
4,7-dichloro-8-fluoroquinolin-3-amine has a molecular weight of 231.06 g/mol, XLogP of 3.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-8-fluoroquinolin-3-amine is sourced from PubChem (CID 102614171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).