5-fluoro-1-quinolin-7-yl-2,3-dihydroinden-1-amine

C18H15FN2 — CID 116532073

IUPAC5-fluoro-1-quinolin-7-yl-2,3-dihydroinden-1-amine
SMILESNC1(c2ccc3cccnc3c2)CCc2cc(F)ccc21
InChIInChI=1S/C18H15FN2/c19-15-5-6-16-13(10-15)7-8-18(16,20)14-4-3-12-2-1-9-21-17(12)11-14/h1-6,9-11H,7-8,20H2
InChIKeyCJRNICQXAVLGKM-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.52
Rot. Bonds1

About 5-fluoro-1-quinolin-7-yl-2,3-dihydroinden-1-amine

5-fluoro-1-quinolin-7-yl-2,3-dihydroinden-1-amine (PubChem CID 116532073) has the molecular formula C18H15FN2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 5-fluoro-1-quinolin-7-yl-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name5-fluoro-1-quinolin-7-yl-2,3-dihydroinden-1-amine
PubChem CID116532073
Molecular FormulaC18H15FN2
Molecular Weight278.33 g/mol
Exact Mass278.12
IUPAC Name5-fluoro-1-quinolin-7-yl-2,3-dihydroinden-1-amine
SMILESNC1(c2ccc3cccnc3c2)CCc2cc(F)ccc21
InChIInChI=1S/C18H15FN2/c19-15-5-6-16-13(10-15)7-8-18(16,20)14-4-3-12-2-1-9-21-17(12)11-14/h1-6,9-11H,7-8,20H2
InChIKeyCJRNICQXAVLGKM-UHFFFAOYSA-N
XLogP3.52
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-quinolin-7-yl-2,3-dihydroinden-1-amine?
The IUPAC name of 5-fluoro-1-quinolin-7-yl-2,3-dihydroinden-1-amine (CID 116532073) is 5-fluoro-1-quinolin-7-yl-2,3-dihydroinden-1-amine.
What is the SMILES notation for 5-fluoro-1-quinolin-7-yl-2,3-dihydroinden-1-amine?
The canonical SMILES for 5-fluoro-1-quinolin-7-yl-2,3-dihydroinden-1-amine is NC1(c2ccc3cccnc3c2)CCc2cc(F)ccc21.
What is the InChIKey of 5-fluoro-1-quinolin-7-yl-2,3-dihydroinden-1-amine?
The InChIKey is CJRNICQXAVLGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2/c19-15-5-6-16-13(10-15)7-8-18(16,20)14-4-3-12-2-1-9-21-17(12)11-14/h1-6,9-11H,7-8,20H2.
What are the key properties of 5-fluoro-1-quinolin-7-yl-2,3-dihydroinden-1-amine?
5-fluoro-1-quinolin-7-yl-2,3-dihydroinden-1-amine has a molecular weight of 278.33 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-quinolin-7-yl-2,3-dihydroinden-1-amine is sourced from PubChem (CID 116532073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).