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

C15H17FN4O — CID 66133394

IUPAC7-[(3-ethylimidazol-4-yl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESCCn1cncc1CNc1cc2c(cc1F)CCC(=O)N2
InChIInChI=1S/C15H17FN4O/c1-2-20-9-17-7-11(20)8-18-14-6-13-10(5-12(14)16)3-4-15(21)19-13/h5-7,9,18H,2-4,8H2,1H3,(H,19,21)
InChIKeyTZKHZUYOQPVTFF-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.54
Rot. Bonds4

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

7-[(3-ethylimidazol-4-yl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 66133394) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 7-[(3-ethylimidazol-4-yl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[(3-ethylimidazol-4-yl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID66133394
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name7-[(3-ethylimidazol-4-yl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESCCn1cncc1CNc1cc2c(cc1F)CCC(=O)N2
InChIInChI=1S/C15H17FN4O/c1-2-20-9-17-7-11(20)8-18-14-6-13-10(5-12(14)16)3-4-15(21)19-13/h5-7,9,18H,2-4,8H2,1H3,(H,19,21)
InChIKeyTZKHZUYOQPVTFF-UHFFFAOYSA-N
XLogP2.54
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-ethylimidazol-4-yl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-[(3-ethylimidazol-4-yl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one (CID 66133394) is 7-[(3-ethylimidazol-4-yl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-[(3-ethylimidazol-4-yl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-[(3-ethylimidazol-4-yl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one is CCn1cncc1CNc1cc2c(cc1F)CCC(=O)N2.
What is the InChIKey of 7-[(3-ethylimidazol-4-yl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is TZKHZUYOQPVTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-2-20-9-17-7-11(20)8-18-14-6-13-10(5-12(14)16)3-4-15(21)19-13/h5-7,9,18H,2-4,8H2,1H3,(H,19,21).
What are the key properties of 7-[(3-ethylimidazol-4-yl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one?
7-[(3-ethylimidazol-4-yl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 288.33 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-ethylimidazol-4-yl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 66133394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).