6-chloro-8-fluoro-3-[(1S)-1-[[4-(1,2-oxazol-4-yl)-2-pyridinyl]amino]ethyl]-1H-quinolin-2-one

C19H14ClFN4O2 — CID 118956175

IUPAC6-chloro-8-fluoro-3-[(1S)-1-[[4-(1,2-oxazol-4-yl)-2-pyridinyl]amino]ethyl]-1H-quinolin-2-one
SMILESC[C@H](Nc1cc(-c2cnoc2)ccn1)c1cc2cc(Cl)cc(F)c2[nH]c1=O
InChIInChI=1S/C19H14ClFN4O2/c1-10(24-17-6-11(2-3-22-17)13-8-23-27-9-13)15-5-12-4-14(20)7-16(21)18(12)25-19(15)26/h2-10H,1H3,(H,22,24)(H,25,26)/t10-/m0/s1
InChIKeyHDQQSUWQBOWXLO-JTQLQIEISA-N
MW384.80 g/mol
LogP4.54
Rot. Bonds4

About 6-chloro-8-fluoro-3-[(1S)-1-[[4-(1,2-oxazol-4-yl)-2-pyridinyl]amino]ethyl]-1H-quinolin-2-one

6-chloro-8-fluoro-3-[(1S)-1-[[4-(1,2-oxazol-4-yl)-2-pyridinyl]amino]ethyl]-1H-quinolin-2-one (PubChem CID 118956175) has the molecular formula C19H14ClFN4O2 and a molecular weight of 384.80 g/mol. Its IUPAC name is 6-chloro-8-fluoro-3-[(1S)-1-[[4-(1,2-oxazol-4-yl)-2-pyridinyl]amino]ethyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-8-fluoro-3-[(1S)-1-[[4-(1,2-oxazol-4-yl)-2-pyridinyl]amino]ethyl]-1H-quinolin-2-one
PubChem CID118956175
Molecular FormulaC19H14ClFN4O2
Molecular Weight384.80 g/mol
Exact Mass384.08
IUPAC Name6-chloro-8-fluoro-3-[(1S)-1-[[4-(1,2-oxazol-4-yl)-2-pyridinyl]amino]ethyl]-1H-quinolin-2-one
SMILESC[C@H](Nc1cc(-c2cnoc2)ccn1)c1cc2cc(Cl)cc(F)c2[nH]c1=O
InChIInChI=1S/C19H14ClFN4O2/c1-10(24-17-6-11(2-3-22-17)13-8-23-27-9-13)15-5-12-4-14(20)7-16(21)18(12)25-19(15)26/h2-10H,1H3,(H,22,24)(H,25,26)/t10-/m0/s1
InChIKeyHDQQSUWQBOWXLO-JTQLQIEISA-N
XLogP4.54
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.80
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-fluoro-3-[(1S)-1-[[4-(1,2-oxazol-4-yl)-2-pyridinyl]amino]ethyl]-1H-quinolin-2-one?
The IUPAC name of 6-chloro-8-fluoro-3-[(1S)-1-[[4-(1,2-oxazol-4-yl)-2-pyridinyl]amino]ethyl]-1H-quinolin-2-one (CID 118956175) is 6-chloro-8-fluoro-3-[(1S)-1-[[4-(1,2-oxazol-4-yl)-2-pyridinyl]amino]ethyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-8-fluoro-3-[(1S)-1-[[4-(1,2-oxazol-4-yl)-2-pyridinyl]amino]ethyl]-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-8-fluoro-3-[(1S)-1-[[4-(1,2-oxazol-4-yl)-2-pyridinyl]amino]ethyl]-1H-quinolin-2-one is C[C@H](Nc1cc(-c2cnoc2)ccn1)c1cc2cc(Cl)cc(F)c2[nH]c1=O.
What is the InChIKey of 6-chloro-8-fluoro-3-[(1S)-1-[[4-(1,2-oxazol-4-yl)-2-pyridinyl]amino]ethyl]-1H-quinolin-2-one?
The InChIKey is HDQQSUWQBOWXLO-JTQLQIEISA-N. The full InChI is InChI=1S/C19H14ClFN4O2/c1-10(24-17-6-11(2-3-22-17)13-8-23-27-9-13)15-5-12-4-14(20)7-16(21)18(12)25-19(15)26/h2-10H,1H3,(H,22,24)(H,25,26)/t10-/m0/s1.
What are the key properties of 6-chloro-8-fluoro-3-[(1S)-1-[[4-(1,2-oxazol-4-yl)-2-pyridinyl]amino]ethyl]-1H-quinolin-2-one?
6-chloro-8-fluoro-3-[(1S)-1-[[4-(1,2-oxazol-4-yl)-2-pyridinyl]amino]ethyl]-1H-quinolin-2-one has a molecular weight of 384.80 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-fluoro-3-[(1S)-1-[[4-(1,2-oxazol-4-yl)-2-pyridinyl]amino]ethyl]-1H-quinolin-2-one is sourced from PubChem (CID 118956175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).