6-[5-(1-amino-2-phenylethyl)-3-pyridinyl]-4-hydroxy-1H-quinolin-2-one

C22H19N3O2 — CID 68931181

IUPAC6-[5-(1-amino-2-phenylethyl)-3-pyridinyl]-4-hydroxy-1H-quinolin-2-one
SMILESNC(Cc1ccccc1)c1cncc(-c2ccc3[nH]c(=O)cc(O)c3c2)c1
InChIInChI=1S/C22H19N3O2/c23-19(8-14-4-2-1-3-5-14)17-9-16(12-24-13-17)15-6-7-20-18(10-15)21(26)11-22(27)25-20/h1-7,9-13,19H,8,23H2,(H2,25,26,27)
InChIKeyKHCXUJMUJCXKLU-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.54
Rot. Bonds4

About 6-[5-(1-amino-2-phenylethyl)-3-pyridinyl]-4-hydroxy-1H-quinolin-2-one

6-[5-(1-amino-2-phenylethyl)-3-pyridinyl]-4-hydroxy-1H-quinolin-2-one (PubChem CID 68931181) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 6-[5-(1-amino-2-phenylethyl)-3-pyridinyl]-4-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[5-(1-amino-2-phenylethyl)-3-pyridinyl]-4-hydroxy-1H-quinolin-2-one
PubChem CID68931181
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name6-[5-(1-amino-2-phenylethyl)-3-pyridinyl]-4-hydroxy-1H-quinolin-2-one
SMILESNC(Cc1ccccc1)c1cncc(-c2ccc3[nH]c(=O)cc(O)c3c2)c1
InChIInChI=1S/C22H19N3O2/c23-19(8-14-4-2-1-3-5-14)17-9-16(12-24-13-17)15-6-7-20-18(10-15)21(26)11-22(27)25-20/h1-7,9-13,19H,8,23H2,(H2,25,26,27)
InChIKeyKHCXUJMUJCXKLU-UHFFFAOYSA-N
XLogP3.54
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(1-amino-2-phenylethyl)-3-pyridinyl]-4-hydroxy-1H-quinolin-2-one?
The IUPAC name of 6-[5-(1-amino-2-phenylethyl)-3-pyridinyl]-4-hydroxy-1H-quinolin-2-one (CID 68931181) is 6-[5-(1-amino-2-phenylethyl)-3-pyridinyl]-4-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 6-[5-(1-amino-2-phenylethyl)-3-pyridinyl]-4-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 6-[5-(1-amino-2-phenylethyl)-3-pyridinyl]-4-hydroxy-1H-quinolin-2-one is NC(Cc1ccccc1)c1cncc(-c2ccc3[nH]c(=O)cc(O)c3c2)c1.
What is the InChIKey of 6-[5-(1-amino-2-phenylethyl)-3-pyridinyl]-4-hydroxy-1H-quinolin-2-one?
The InChIKey is KHCXUJMUJCXKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c23-19(8-14-4-2-1-3-5-14)17-9-16(12-24-13-17)15-6-7-20-18(10-15)21(26)11-22(27)25-20/h1-7,9-13,19H,8,23H2,(H2,25,26,27).
What are the key properties of 6-[5-(1-amino-2-phenylethyl)-3-pyridinyl]-4-hydroxy-1H-quinolin-2-one?
6-[5-(1-amino-2-phenylethyl)-3-pyridinyl]-4-hydroxy-1H-quinolin-2-one has a molecular weight of 357.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(1-amino-2-phenylethyl)-3-pyridinyl]-4-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 68931181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).