3-[(2S)-2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-quinolin-2-one

C18H16N2O2 — CID 95204666

IUPAC3-[(2S)-2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-quinolin-2-one
SMILESNC[C@@H]1Cc2cccc(-c3cc4ccccc4[nH]c3=O)c2O1
InChIInChI=1S/C18H16N2O2/c19-10-13-8-12-5-3-6-14(17(12)22-13)15-9-11-4-1-2-7-16(11)20-18(15)21/h1-7,9,13H,8,10,19H2,(H,20,21)/t13-/m0/s1
InChIKeyJRWMKXILJCLRPN-ZDUSSCGKSA-N
MW292.34 g/mol
LogP2.46
Rot. Bonds2

About 3-[(2S)-2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-quinolin-2-one

3-[(2S)-2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-quinolin-2-one (PubChem CID 95204666) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-[(2S)-2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(2S)-2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-quinolin-2-one
PubChem CID95204666
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name3-[(2S)-2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-quinolin-2-one
SMILESNC[C@@H]1Cc2cccc(-c3cc4ccccc4[nH]c3=O)c2O1
InChIInChI=1S/C18H16N2O2/c19-10-13-8-12-5-3-6-14(17(12)22-13)15-9-11-4-1-2-7-16(11)20-18(15)21/h1-7,9,13H,8,10,19H2,(H,20,21)/t13-/m0/s1
InChIKeyJRWMKXILJCLRPN-ZDUSSCGKSA-N
XLogP2.46
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-quinolin-2-one?
The IUPAC name of 3-[(2S)-2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-quinolin-2-one (CID 95204666) is 3-[(2S)-2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[(2S)-2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-[(2S)-2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-quinolin-2-one is NC[C@@H]1Cc2cccc(-c3cc4ccccc4[nH]c3=O)c2O1.
What is the InChIKey of 3-[(2S)-2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-quinolin-2-one?
The InChIKey is JRWMKXILJCLRPN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H16N2O2/c19-10-13-8-12-5-3-6-14(17(12)22-13)15-9-11-4-1-2-7-16(11)20-18(15)21/h1-7,9,13H,8,10,19H2,(H,20,21)/t13-/m0/s1.
What are the key properties of 3-[(2S)-2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-quinolin-2-one?
3-[(2S)-2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-quinolin-2-one has a molecular weight of 292.34 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-quinolin-2-one is sourced from PubChem (CID 95204666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).