7-(3,3-dimethylbutylamino)-6-fluoro-3,4-dihydro-1H-quinolin-2-one

C15H21FN2O — CID 62950028

IUPAC7-(3,3-dimethylbutylamino)-6-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)(C)CCNc1cc2c(cc1F)CCC(=O)N2
InChIInChI=1S/C15H21FN2O/c1-15(2,3)6-7-17-13-9-12-10(8-11(13)16)4-5-14(19)18-12/h8-9,17H,4-7H2,1-3H3,(H,18,19)
InChIKeyJUJVEXYVPBQDQJ-UHFFFAOYSA-N
MW264.34 g/mol
LogP3.56
Rot. Bonds3

About 7-(3,3-dimethylbutylamino)-6-fluoro-3,4-dihydro-1H-quinolin-2-one

7-(3,3-dimethylbutylamino)-6-fluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 62950028) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 7-(3,3-dimethylbutylamino)-6-fluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(3,3-dimethylbutylamino)-6-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID62950028
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name7-(3,3-dimethylbutylamino)-6-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)(C)CCNc1cc2c(cc1F)CCC(=O)N2
InChIInChI=1S/C15H21FN2O/c1-15(2,3)6-7-17-13-9-12-10(8-11(13)16)4-5-14(19)18-12/h8-9,17H,4-7H2,1-3H3,(H,18,19)
InChIKeyJUJVEXYVPBQDQJ-UHFFFAOYSA-N
XLogP3.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(3,3-dimethylbutylamino)-6-fluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-(3,3-dimethylbutylamino)-6-fluoro-3,4-dihydro-1H-quinolin-2-one (CID 62950028) is 7-(3,3-dimethylbutylamino)-6-fluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-(3,3-dimethylbutylamino)-6-fluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-(3,3-dimethylbutylamino)-6-fluoro-3,4-dihydro-1H-quinolin-2-one is CC(C)(C)CCNc1cc2c(cc1F)CCC(=O)N2.
What is the InChIKey of 7-(3,3-dimethylbutylamino)-6-fluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is JUJVEXYVPBQDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-15(2,3)6-7-17-13-9-12-10(8-11(13)16)4-5-14(19)18-12/h8-9,17H,4-7H2,1-3H3,(H,18,19).
What are the key properties of 7-(3,3-dimethylbutylamino)-6-fluoro-3,4-dihydro-1H-quinolin-2-one?
7-(3,3-dimethylbutylamino)-6-fluoro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 264.34 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,3-dimethylbutylamino)-6-fluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 62950028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).