6-[(5-bromothiophen-2-yl)-(methylamino)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one

C15H14BrFN2OS — CID 43487511

IUPAC6-[(5-bromothiophen-2-yl)-(methylamino)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESCNC(c1ccc(Br)s1)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C15H14BrFN2OS/c1-18-15(12-3-4-13(16)21-12)9-6-8-2-5-14(20)19-11(8)7-10(9)17/h3-4,6-7,15,18H,2,5H2,1H3,(H,19,20)
InChIKeyJNFPNIMLYDRTHC-UHFFFAOYSA-N
MW369.26 g/mol
LogP3.84
Rot. Bonds3

About 6-[(5-bromothiophen-2-yl)-(methylamino)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one

6-[(5-bromothiophen-2-yl)-(methylamino)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43487511) has the molecular formula C15H14BrFN2OS and a molecular weight of 369.26 g/mol. Its IUPAC name is 6-[(5-bromothiophen-2-yl)-(methylamino)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(5-bromothiophen-2-yl)-(methylamino)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID43487511
Molecular FormulaC15H14BrFN2OS
Molecular Weight369.26 g/mol
Exact Mass368.00
IUPAC Name6-[(5-bromothiophen-2-yl)-(methylamino)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESCNC(c1ccc(Br)s1)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C15H14BrFN2OS/c1-18-15(12-3-4-13(16)21-12)9-6-8-2-5-14(20)19-11(8)7-10(9)17/h3-4,6-7,15,18H,2,5H2,1H3,(H,19,20)
InChIKeyJNFPNIMLYDRTHC-UHFFFAOYSA-N
XLogP3.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromothiophen-2-yl)-(methylamino)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(5-bromothiophen-2-yl)-(methylamino)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one (CID 43487511) is 6-[(5-bromothiophen-2-yl)-(methylamino)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(5-bromothiophen-2-yl)-(methylamino)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(5-bromothiophen-2-yl)-(methylamino)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one is CNC(c1ccc(Br)s1)c1cc2c(cc1F)NC(=O)CC2.
What is the InChIKey of 6-[(5-bromothiophen-2-yl)-(methylamino)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is JNFPNIMLYDRTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2OS/c1-18-15(12-3-4-13(16)21-12)9-6-8-2-5-14(20)19-11(8)7-10(9)17/h3-4,6-7,15,18H,2,5H2,1H3,(H,19,20).
What are the key properties of 6-[(5-bromothiophen-2-yl)-(methylamino)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
6-[(5-bromothiophen-2-yl)-(methylamino)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 369.26 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-bromothiophen-2-yl)-(methylamino)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43487511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).