3-[2-[1-[6-chloro-7-(cyclopropylmethoxy)-2-oxo-1H-quinolin-3-yl]ethylamino]-3-fluoro-4-pyridinyl]-1,3-oxazolidin-2-one

C23H22ClFN4O4 — CID 134363993

IUPAC3-[2-[1-[6-chloro-7-(cyclopropylmethoxy)-2-oxo-1H-quinolin-3-yl]ethylamino]-3-fluoro-4-pyridinyl]-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2CCOC2=O)c1F)c1cc2cc(Cl)c(OCC3CC3)cc2[nH]c1=O
InChIInChI=1S/C23H22ClFN4O4/c1-12(27-21-20(25)18(4-5-26-21)29-6-7-32-23(29)31)15-8-14-9-16(24)19(33-11-13-2-3-13)10-17(14)28-22(15)30/h4-5,8-10,12-13H,2-3,6-7,11H2,1H3,(H,26,27)(H,28,30)
InChIKeyNWONDAHHKHLAEC-UHFFFAOYSA-N
MW472.90 g/mol
LogP4.63
Rot. Bonds7

About 3-[2-[1-[6-chloro-7-(cyclopropylmethoxy)-2-oxo-1H-quinolin-3-yl]ethylamino]-3-fluoro-4-pyridinyl]-1,3-oxazolidin-2-one

3-[2-[1-[6-chloro-7-(cyclopropylmethoxy)-2-oxo-1H-quinolin-3-yl]ethylamino]-3-fluoro-4-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 134363993) has the molecular formula C23H22ClFN4O4 and a molecular weight of 472.90 g/mol. Its IUPAC name is 3-[2-[1-[6-chloro-7-(cyclopropylmethoxy)-2-oxo-1H-quinolin-3-yl]ethylamino]-3-fluoro-4-pyridinyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[1-[6-chloro-7-(cyclopropylmethoxy)-2-oxo-1H-quinolin-3-yl]ethylamino]-3-fluoro-4-pyridinyl]-1,3-oxazolidin-2-one
PubChem CID134363993
Molecular FormulaC23H22ClFN4O4
Molecular Weight472.90 g/mol
Exact Mass472.13
IUPAC Name3-[2-[1-[6-chloro-7-(cyclopropylmethoxy)-2-oxo-1H-quinolin-3-yl]ethylamino]-3-fluoro-4-pyridinyl]-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2CCOC2=O)c1F)c1cc2cc(Cl)c(OCC3CC3)cc2[nH]c1=O
InChIInChI=1S/C23H22ClFN4O4/c1-12(27-21-20(25)18(4-5-26-21)29-6-7-32-23(29)31)15-8-14-9-16(24)19(33-11-13-2-3-13)10-17(14)28-22(15)30/h4-5,8-10,12-13H,2-3,6-7,11H2,1H3,(H,26,27)(H,28,30)
InChIKeyNWONDAHHKHLAEC-UHFFFAOYSA-N
XLogP4.63
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.90
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-[6-chloro-7-(cyclopropylmethoxy)-2-oxo-1H-quinolin-3-yl]ethylamino]-3-fluoro-4-pyridinyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[1-[6-chloro-7-(cyclopropylmethoxy)-2-oxo-1H-quinolin-3-yl]ethylamino]-3-fluoro-4-pyridinyl]-1,3-oxazolidin-2-one (CID 134363993) is 3-[2-[1-[6-chloro-7-(cyclopropylmethoxy)-2-oxo-1H-quinolin-3-yl]ethylamino]-3-fluoro-4-pyridinyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[1-[6-chloro-7-(cyclopropylmethoxy)-2-oxo-1H-quinolin-3-yl]ethylamino]-3-fluoro-4-pyridinyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[1-[6-chloro-7-(cyclopropylmethoxy)-2-oxo-1H-quinolin-3-yl]ethylamino]-3-fluoro-4-pyridinyl]-1,3-oxazolidin-2-one is CC(Nc1nccc(N2CCOC2=O)c1F)c1cc2cc(Cl)c(OCC3CC3)cc2[nH]c1=O.
What is the InChIKey of 3-[2-[1-[6-chloro-7-(cyclopropylmethoxy)-2-oxo-1H-quinolin-3-yl]ethylamino]-3-fluoro-4-pyridinyl]-1,3-oxazolidin-2-one?
The InChIKey is NWONDAHHKHLAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN4O4/c1-12(27-21-20(25)18(4-5-26-21)29-6-7-32-23(29)31)15-8-14-9-16(24)19(33-11-13-2-3-13)10-17(14)28-22(15)30/h4-5,8-10,12-13H,2-3,6-7,11H2,1H3,(H,26,27)(H,28,30).
What are the key properties of 3-[2-[1-[6-chloro-7-(cyclopropylmethoxy)-2-oxo-1H-quinolin-3-yl]ethylamino]-3-fluoro-4-pyridinyl]-1,3-oxazolidin-2-one?
3-[2-[1-[6-chloro-7-(cyclopropylmethoxy)-2-oxo-1H-quinolin-3-yl]ethylamino]-3-fluoro-4-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 472.90 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-[6-chloro-7-(cyclopropylmethoxy)-2-oxo-1H-quinolin-3-yl]ethylamino]-3-fluoro-4-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134363993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).