3-[1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]benzamide

C18H15ClFN3O2 — CID 135378436

IUPAC3-[1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]benzamide
SMILESCC(Nc1cccc(C(N)=O)c1)c1cc2cc(Cl)c(F)cc2[nH]c1=O
InChIInChI=1S/C18H15ClFN3O2/c1-9(22-12-4-2-3-10(5-12)17(21)24)13-6-11-7-14(19)15(20)8-16(11)23-18(13)25/h2-9,22H,1H3,(H2,21,24)(H,23,25)
InChIKeyZQTGIZJBMVTGRF-UHFFFAOYSA-N
MW359.79 g/mol
LogP3.59
Rot. Bonds4

About 3-[1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]benzamide

3-[1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]benzamide (PubChem CID 135378436) has the molecular formula C18H15ClFN3O2 and a molecular weight of 359.79 g/mol. Its IUPAC name is 3-[1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]benzamide.

Molecular Properties

Compound Name3-[1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]benzamide
PubChem CID135378436
Molecular FormulaC18H15ClFN3O2
Molecular Weight359.79 g/mol
Exact Mass359.08
IUPAC Name3-[1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]benzamide
SMILESCC(Nc1cccc(C(N)=O)c1)c1cc2cc(Cl)c(F)cc2[nH]c1=O
InChIInChI=1S/C18H15ClFN3O2/c1-9(22-12-4-2-3-10(5-12)17(21)24)13-6-11-7-14(19)15(20)8-16(11)23-18(13)25/h2-9,22H,1H3,(H2,21,24)(H,23,25)
InChIKeyZQTGIZJBMVTGRF-UHFFFAOYSA-N
XLogP3.59
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]benzamide
CID 28650557
methyl N-[3-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]phenyl]carbamate
CID 118955725
N-[3-[[(1S)-1-(6-chloro-2-oxo-7-propan-2-yloxy-1H-quinolin-3-yl)ethyl]amino]phenyl]acetamide
CID 118955578
N-[2-[1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]-1,3-oxazol-4-yl]acetamide
CID 122637401
[3-[[(1S)-1-(6-chloro-2-oxo-7-propan-2-yloxy-1H-quinolin-3-yl)ethyl]amino]phenyl]-methylcarbamic acid
CID 135377920
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
3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]benzamide
CID 43767602
3-[1-(2-bromo-4-fluorophenyl)ethylamino]benzamide
CID 103935912
6-chloro-7-methoxy-3-[1-[3-(5-methyltetrazol-1-yl)anilino]ethyl]-1H-quinolin-2-one
CID 135378403
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-3-[1-[3-(3-methylimidazol-4-yl)anilino]ethyl]-7-propan-2-yloxy-1H-quinolin-2-one
CID 135378474
3-bromo-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]aniline
CID 43762868

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]benzamide?
The IUPAC name of 3-[1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]benzamide (CID 135378436) is 3-[1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]benzamide.
What is the SMILES notation for 3-[1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]benzamide?
The canonical SMILES for 3-[1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]benzamide is CC(Nc1cccc(C(N)=O)c1)c1cc2cc(Cl)c(F)cc2[nH]c1=O.
What is the InChIKey of 3-[1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]benzamide?
The InChIKey is ZQTGIZJBMVTGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2/c1-9(22-12-4-2-3-10(5-12)17(21)24)13-6-11-7-14(19)15(20)8-16(11)23-18(13)25/h2-9,22H,1H3,(H2,21,24)(H,23,25).
What are the key properties of 3-[1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]benzamide?
3-[1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]benzamide has a molecular weight of 359.79 g/mol, XLogP of 3.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]benzamide is sourced from PubChem (CID 135378436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).