2-[[1-ethyl-6-fluoro-4-oxo-2-(piperidin-4-ylamino)quinoline-3-carbonyl]amino]acetic acid;hydrochloride

C19H24ClFN4O4 — CID 66963174

IUPAC2-[[1-ethyl-6-fluoro-4-oxo-2-(piperidin-4-ylamino)quinoline-3-carbonyl]amino]acetic acid;hydrochloride
SMILESCCn1c(NC2CCNCC2)c(C(=O)NCC(=O)O)c(=O)c2cc(F)ccc21.Cl
InChIInChI=1S/C19H23FN4O4.ClH/c1-2-24-14-4-3-11(20)9-13(14)17(27)16(19(28)22-10-15(25)26)18(24)23-12-5-7-21-8-6-12;/h3-4,9,12,21,23H,2,5-8,10H2,1H3,(H,22,28)(H,25,26);1H
InChIKeyFGCLBKJCOSYMQZ-UHFFFAOYSA-N
MW426.88 g/mol
LogP1.56
Rot. Bonds6

About 2-[[1-ethyl-6-fluoro-4-oxo-2-(piperidin-4-ylamino)quinoline-3-carbonyl]amino]acetic acid;hydrochloride

2-[[1-ethyl-6-fluoro-4-oxo-2-(piperidin-4-ylamino)quinoline-3-carbonyl]amino]acetic acid;hydrochloride (PubChem CID 66963174) has the molecular formula C19H24ClFN4O4 and a molecular weight of 426.88 g/mol. Its IUPAC name is 2-[[1-ethyl-6-fluoro-4-oxo-2-(piperidin-4-ylamino)quinoline-3-carbonyl]amino]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[[1-ethyl-6-fluoro-4-oxo-2-(piperidin-4-ylamino)quinoline-3-carbonyl]amino]acetic acid;hydrochloride
PubChem CID66963174
Molecular FormulaC19H24ClFN4O4
Molecular Weight426.88 g/mol
Exact Mass426.15
IUPAC Name2-[[1-ethyl-6-fluoro-4-oxo-2-(piperidin-4-ylamino)quinoline-3-carbonyl]amino]acetic acid;hydrochloride
SMILESCCn1c(NC2CCNCC2)c(C(=O)NCC(=O)O)c(=O)c2cc(F)ccc21.Cl
InChIInChI=1S/C19H23FN4O4.ClH/c1-2-24-14-4-3-11(20)9-13(14)17(27)16(19(28)22-10-15(25)26)18(24)23-12-5-7-21-8-6-12;/h3-4,9,12,21,23H,2,5-8,10H2,1H3,(H,22,28)(H,25,26);1H
InChIKeyFGCLBKJCOSYMQZ-UHFFFAOYSA-N
XLogP1.56
TPSA112.46 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.88
LogP ≤ 51.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-ethyl-6-fluoro-4-oxo-2-(piperidin-4-ylamino)quinoline-3-carbonyl]amino]acetic acid;hydrochloride?
The IUPAC name of 2-[[1-ethyl-6-fluoro-4-oxo-2-(piperidin-4-ylamino)quinoline-3-carbonyl]amino]acetic acid;hydrochloride (CID 66963174) is 2-[[1-ethyl-6-fluoro-4-oxo-2-(piperidin-4-ylamino)quinoline-3-carbonyl]amino]acetic acid;hydrochloride.
What is the SMILES notation for 2-[[1-ethyl-6-fluoro-4-oxo-2-(piperidin-4-ylamino)quinoline-3-carbonyl]amino]acetic acid;hydrochloride?
The canonical SMILES for 2-[[1-ethyl-6-fluoro-4-oxo-2-(piperidin-4-ylamino)quinoline-3-carbonyl]amino]acetic acid;hydrochloride is CCn1c(NC2CCNCC2)c(C(=O)NCC(=O)O)c(=O)c2cc(F)ccc21.Cl.
What is the InChIKey of 2-[[1-ethyl-6-fluoro-4-oxo-2-(piperidin-4-ylamino)quinoline-3-carbonyl]amino]acetic acid;hydrochloride?
The InChIKey is FGCLBKJCOSYMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O4.ClH/c1-2-24-14-4-3-11(20)9-13(14)17(27)16(19(28)22-10-15(25)26)18(24)23-12-5-7-21-8-6-12;/h3-4,9,12,21,23H,2,5-8,10H2,1H3,(H,22,28)(H,25,26);1H.
What are the key properties of 2-[[1-ethyl-6-fluoro-4-oxo-2-(piperidin-4-ylamino)quinoline-3-carbonyl]amino]acetic acid;hydrochloride?
2-[[1-ethyl-6-fluoro-4-oxo-2-(piperidin-4-ylamino)quinoline-3-carbonyl]amino]acetic acid;hydrochloride has a molecular weight of 426.88 g/mol, XLogP of 1.56, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-ethyl-6-fluoro-4-oxo-2-(piperidin-4-ylamino)quinoline-3-carbonyl]amino]acetic acid;hydrochloride is sourced from PubChem (CID 66963174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).