8-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-2-methyl-1H-quinolin-4-one

C19H17ClN2O2 — CID 95198498

IUPAC8-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-2-methyl-1H-quinolin-4-one
SMILESCc1cc(=O)c2cccc(-c3cc(Cl)cc4c3O[C@@H](CN)C4)c2[nH]1
InChIInChI=1S/C19H17ClN2O2/c1-10-5-17(23)15-4-2-3-14(18(15)22-10)16-8-12(20)6-11-7-13(9-21)24-19(11)16/h2-6,8,13H,7,9,21H2,1H3,(H,22,23)/t13-/m1/s1
InChIKeyLNUSLYJYYXZMSZ-CYBMUJFWSA-N
MW340.81 g/mol
LogP3.42
Rot. Bonds2

About 8-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-2-methyl-1H-quinolin-4-one

8-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-2-methyl-1H-quinolin-4-one (PubChem CID 95198498) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 8-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-2-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name8-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-2-methyl-1H-quinolin-4-one
PubChem CID95198498
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name8-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-2-methyl-1H-quinolin-4-one
SMILESCc1cc(=O)c2cccc(-c3cc(Cl)cc4c3O[C@@H](CN)C4)c2[nH]1
InChIInChI=1S/C19H17ClN2O2/c1-10-5-17(23)15-4-2-3-14(18(15)22-10)16-8-12(20)6-11-7-13(9-21)24-19(11)16/h2-6,8,13H,7,9,21H2,1H3,(H,22,23)/t13-/m1/s1
InChIKeyLNUSLYJYYXZMSZ-CYBMUJFWSA-N
XLogP3.42
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 8-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-2-methyl-1H-quinolin-4-one with MolForge

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Related Compounds

[(2R)-5-chloro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383347
[5-chloro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11960947
[(2S)-5-chloro-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129384142
[(2R)-5-chloro-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383339
[(2R)-5-chloro-7-phenyl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383335
8-(2,4-dichlorophenyl)-2-methyl-1H-quinolin-4-one
CID 11120236
[(2R)-5-methyl-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129395361
N-[[2-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]phenyl]methyl]propanamide
CID 95211710
[(2R)-7-(2,6-dichlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129364398
[7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11960767
[(2R)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383306
[7-(2,6-dimethylphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11448636

Frequently Asked Questions

What is the IUPAC name of 8-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-2-methyl-1H-quinolin-4-one?
The IUPAC name of 8-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-2-methyl-1H-quinolin-4-one (CID 95198498) is 8-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-2-methyl-1H-quinolin-4-one.
What is the SMILES notation for 8-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-2-methyl-1H-quinolin-4-one?
The canonical SMILES for 8-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-2-methyl-1H-quinolin-4-one is Cc1cc(=O)c2cccc(-c3cc(Cl)cc4c3O[C@@H](CN)C4)c2[nH]1.
What is the InChIKey of 8-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-2-methyl-1H-quinolin-4-one?
The InChIKey is LNUSLYJYYXZMSZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-10-5-17(23)15-4-2-3-14(18(15)22-10)16-8-12(20)6-11-7-13(9-21)24-19(11)16/h2-6,8,13H,7,9,21H2,1H3,(H,22,23)/t13-/m1/s1.
What are the key properties of 8-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-2-methyl-1H-quinolin-4-one?
8-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-2-methyl-1H-quinolin-4-one has a molecular weight of 340.81 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydro-1-benzofuran-7-yl]-2-methyl-1H-quinolin-4-one is sourced from PubChem (CID 95198498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).