(3R)-3-amino-7-(hydroxymethyl)-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one

C18H20N2O2 — CID 178034416

IUPAC(3R)-3-amino-7-(hydroxymethyl)-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one
SMILESC[C@@H](c1ccccc1)N1C(=O)[C@H](N)Cc2ccc(CO)cc21
InChIInChI=1S/C18H20N2O2/c1-12(14-5-3-2-4-6-14)20-17-9-13(11-21)7-8-15(17)10-16(19)18(20)22/h2-9,12,16,21H,10-11,19H2,1H3/t12-,16+/m0/s1
InChIKeyOAIBOUVXAVTBSL-BLLLJJGKSA-N
MW296.37 g/mol
LogP2.16
Rot. Bonds3

About (3R)-3-amino-7-(hydroxymethyl)-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one

(3R)-3-amino-7-(hydroxymethyl)-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one (PubChem CID 178034416) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (3R)-3-amino-7-(hydroxymethyl)-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name(3R)-3-amino-7-(hydroxymethyl)-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one
PubChem CID178034416
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(3R)-3-amino-7-(hydroxymethyl)-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one
SMILESC[C@@H](c1ccccc1)N1C(=O)[C@H](N)Cc2ccc(CO)cc21
InChIInChI=1S/C18H20N2O2/c1-12(14-5-3-2-4-6-14)20-17-9-13(11-21)7-8-15(17)10-16(19)18(20)22/h2-9,12,16,21H,10-11,19H2,1H3/t12-,16+/m0/s1
InChIKeyOAIBOUVXAVTBSL-BLLLJJGKSA-N
XLogP2.16
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-7-(hydroxymethyl)-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of (3R)-3-amino-7-(hydroxymethyl)-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one (CID 178034416) is (3R)-3-amino-7-(hydroxymethyl)-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for (3R)-3-amino-7-(hydroxymethyl)-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for (3R)-3-amino-7-(hydroxymethyl)-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one is C[C@@H](c1ccccc1)N1C(=O)[C@H](N)Cc2ccc(CO)cc21.
What is the InChIKey of (3R)-3-amino-7-(hydroxymethyl)-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one?
The InChIKey is OAIBOUVXAVTBSL-BLLLJJGKSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12(14-5-3-2-4-6-14)20-17-9-13(11-21)7-8-15(17)10-16(19)18(20)22/h2-9,12,16,21H,10-11,19H2,1H3/t12-,16+/m0/s1.
What are the key properties of (3R)-3-amino-7-(hydroxymethyl)-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one?
(3R)-3-amino-7-(hydroxymethyl)-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one has a molecular weight of 296.37 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-7-(hydroxymethyl)-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 178034416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).