2-[[(4-chlorophenyl)methyl-ethylamino]methyl]-8-fluoro-1H-quinolin-4-one

C19H18ClFN2O — CID 20931320

IUPAC2-[[(4-chlorophenyl)methyl-ethylamino]methyl]-8-fluoro-1H-quinolin-4-one
SMILESCCN(Cc1ccc(Cl)cc1)Cc1cc(=O)c2cccc(F)c2[nH]1
InChIInChI=1S/C19H18ClFN2O/c1-2-23(11-13-6-8-14(20)9-7-13)12-15-10-18(24)16-4-3-5-17(21)19(16)22-15/h3-10H,2,11-12H2,1H3,(H,22,24)
InChIKeyNEGFHOGEBICOER-UHFFFAOYSA-N
MW344.82 g/mol
LogP4.34
Rot. Bonds5

About 2-[[(4-chlorophenyl)methyl-ethylamino]methyl]-8-fluoro-1H-quinolin-4-one

2-[[(4-chlorophenyl)methyl-ethylamino]methyl]-8-fluoro-1H-quinolin-4-one (PubChem CID 20931320) has the molecular formula C19H18ClFN2O and a molecular weight of 344.82 g/mol. Its IUPAC name is 2-[[(4-chlorophenyl)methyl-ethylamino]methyl]-8-fluoro-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[[(4-chlorophenyl)methyl-ethylamino]methyl]-8-fluoro-1H-quinolin-4-one
PubChem CID20931320
Molecular FormulaC19H18ClFN2O
Molecular Weight344.82 g/mol
Exact Mass344.11
IUPAC Name2-[[(4-chlorophenyl)methyl-ethylamino]methyl]-8-fluoro-1H-quinolin-4-one
SMILESCCN(Cc1ccc(Cl)cc1)Cc1cc(=O)c2cccc(F)c2[nH]1
InChIInChI=1S/C19H18ClFN2O/c1-2-23(11-13-6-8-14(20)9-7-13)12-15-10-18(24)16-4-3-5-17(21)19(16)22-15/h3-10H,2,11-12H2,1H3,(H,22,24)
InChIKeyNEGFHOGEBICOER-UHFFFAOYSA-N
XLogP4.34
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4-chlorophenyl)methyl-ethylamino]methyl]-8-fluoro-1H-quinolin-4-one?
The IUPAC name of 2-[[(4-chlorophenyl)methyl-ethylamino]methyl]-8-fluoro-1H-quinolin-4-one (CID 20931320) is 2-[[(4-chlorophenyl)methyl-ethylamino]methyl]-8-fluoro-1H-quinolin-4-one.
What is the SMILES notation for 2-[[(4-chlorophenyl)methyl-ethylamino]methyl]-8-fluoro-1H-quinolin-4-one?
The canonical SMILES for 2-[[(4-chlorophenyl)methyl-ethylamino]methyl]-8-fluoro-1H-quinolin-4-one is CCN(Cc1ccc(Cl)cc1)Cc1cc(=O)c2cccc(F)c2[nH]1.
What is the InChIKey of 2-[[(4-chlorophenyl)methyl-ethylamino]methyl]-8-fluoro-1H-quinolin-4-one?
The InChIKey is NEGFHOGEBICOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O/c1-2-23(11-13-6-8-14(20)9-7-13)12-15-10-18(24)16-4-3-5-17(21)19(16)22-15/h3-10H,2,11-12H2,1H3,(H,22,24).
What are the key properties of 2-[[(4-chlorophenyl)methyl-ethylamino]methyl]-8-fluoro-1H-quinolin-4-one?
2-[[(4-chlorophenyl)methyl-ethylamino]methyl]-8-fluoro-1H-quinolin-4-one has a molecular weight of 344.82 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-chlorophenyl)methyl-ethylamino]methyl]-8-fluoro-1H-quinolin-4-one is sourced from PubChem (CID 20931320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).