N-[2-[1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]-1,3-oxazol-4-yl]acetamide

C16H14ClFN4O3 — CID 122637401

IUPACN-[2-[1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]-1,3-oxazol-4-yl]acetamide
SMILESCC(=O)Nc1coc(NC(C)c2cc3cc(Cl)c(F)cc3[nH]c2=O)n1
InChIInChI=1S/C16H14ClFN4O3/c1-7(19-16-22-14(6-25-16)20-8(2)23)10-3-9-4-11(17)12(18)5-13(9)21-15(10)24/h3-7H,1-2H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyUGYFOCYJHCFPJS-UHFFFAOYSA-N
MW364.76 g/mol
LogP3.44
Rot. Bonds4

About N-[2-[1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]-1,3-oxazol-4-yl]acetamide

N-[2-[1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]-1,3-oxazol-4-yl]acetamide (PubChem CID 122637401) has the molecular formula C16H14ClFN4O3 and a molecular weight of 364.76 g/mol. Its IUPAC name is N-[2-[1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]-1,3-oxazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-[1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]-1,3-oxazol-4-yl]acetamide
PubChem CID122637401
Molecular FormulaC16H14ClFN4O3
Molecular Weight364.76 g/mol
Exact Mass364.07
IUPAC NameN-[2-[1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]-1,3-oxazol-4-yl]acetamide
SMILESCC(=O)Nc1coc(NC(C)c2cc3cc(Cl)c(F)cc3[nH]c2=O)n1
InChIInChI=1S/C16H14ClFN4O3/c1-7(19-16-22-14(6-25-16)20-8(2)23)10-3-9-4-11(17)12(18)5-13(9)21-15(10)24/h3-7H,1-2H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyUGYFOCYJHCFPJS-UHFFFAOYSA-N
XLogP3.44
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.76
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-[1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]-1,3-oxazol-4-yl]acetamide with MolForge

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Related Compounds

N-[2-[[(1R)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1,3-oxazol-4-yl]acetamide
CID 122637550
3-[1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]benzamide
CID 135378436
6-chloro-7-methoxy-3-[(1S)-1-[[4-(5-methyltetrazol-1-yl)-1,3-oxazol-2-yl]amino]ethyl]-1H-quinolin-2-one
CID 122637599
N-[3-[[(1S)-1-(6-chloro-2-oxo-7-propan-2-yloxy-1H-quinolin-3-yl)ethyl]amino]phenyl]acetamide
CID 118955578
N-[2-[[(1S)-1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]-N-(2-methylpropyl)methanesulfonamide
CID 118956082
6-chloro-7-fluoro-3-[1-[[5-(5-methyltriazol-1-yl)-1,3-thiazol-2-yl]amino]ethyl]-1H-quinolin-2-one
CID 122637682
6-chloro-3-[(1S)-1-[[5-(5-cyclopropyltriazol-1-yl)-1,3-thiazol-2-yl]amino]ethyl]-7-fluoro-1H-quinolin-2-one
CID 122637756
3-[3-[[(1S)-1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-2-fluorophenyl]-1,3-oxazolidin-2-one
CID 118955754
6-chloro-3-[(1S)-1-[[4-(5-methyltetrazol-1-yl)-1,3-oxazol-2-yl]amino]ethyl]-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-2-one
CID 122637701
methyl N-[3-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]phenyl]carbamate
CID 118955725
N-[2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]acetamide
CID 118956139
N-[2-[[(1S)-1-[6-chloro-7-(cyclopropylmethoxy)-2-oxo-1H-quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]propanamide
CID 118954145

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]-1,3-oxazol-4-yl]acetamide?
The IUPAC name of N-[2-[1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]-1,3-oxazol-4-yl]acetamide (CID 122637401) is N-[2-[1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]-1,3-oxazol-4-yl]acetamide.
What is the SMILES notation for N-[2-[1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]-1,3-oxazol-4-yl]acetamide?
The canonical SMILES for N-[2-[1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]-1,3-oxazol-4-yl]acetamide is CC(=O)Nc1coc(NC(C)c2cc3cc(Cl)c(F)cc3[nH]c2=O)n1.
What is the InChIKey of N-[2-[1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]-1,3-oxazol-4-yl]acetamide?
The InChIKey is UGYFOCYJHCFPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN4O3/c1-7(19-16-22-14(6-25-16)20-8(2)23)10-3-9-4-11(17)12(18)5-13(9)21-15(10)24/h3-7H,1-2H3,(H,19,22)(H,20,23)(H,21,24).
What are the key properties of N-[2-[1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]-1,3-oxazol-4-yl]acetamide?
N-[2-[1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]-1,3-oxazol-4-yl]acetamide has a molecular weight of 364.76 g/mol, XLogP of 3.44, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]-1,3-oxazol-4-yl]acetamide is sourced from PubChem (CID 122637401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).