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

C20H22N2O — CID 178034289

IUPAC(3R)-3-amino-7-cyclopropyl-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one
SMILESC[C@@H](c1ccccc1)N1C(=O)[C@H](N)Cc2ccc(C3CC3)cc21
InChIInChI=1S/C20H22N2O/c1-13(14-5-3-2-4-6-14)22-19-12-16(15-7-8-15)9-10-17(19)11-18(21)20(22)23/h2-6,9-10,12-13,15,18H,7-8,11,21H2,1H3/t13-,18+/m0/s1
InChIKeyGCTXZFSWPVIXQN-SCLBCKFNSA-N
MW306.41 g/mol
LogP3.54
Rot. Bonds3

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

(3R)-3-amino-7-cyclopropyl-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one (PubChem CID 178034289) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is (3R)-3-amino-7-cyclopropyl-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name(3R)-3-amino-7-cyclopropyl-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one
PubChem CID178034289
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name(3R)-3-amino-7-cyclopropyl-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one
SMILESC[C@@H](c1ccccc1)N1C(=O)[C@H](N)Cc2ccc(C3CC3)cc21
InChIInChI=1S/C20H22N2O/c1-13(14-5-3-2-4-6-14)22-19-12-16(15-7-8-15)9-10-17(19)11-18(21)20(22)23/h2-6,9-10,12-13,15,18H,7-8,11,21H2,1H3/t13-,18+/m0/s1
InChIKeyGCTXZFSWPVIXQN-SCLBCKFNSA-N
XLogP3.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-amino-7-(hydroxymethyl)-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one
CID 178034416
(3R)-3-amino-7-(1-hydroxycyclopropyl)-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one
CID 178034245
(3R)-3-amino-7-chloro-1-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dihydroquinolin-2-one
CID 178034432
(3R)-3-amino-7-chloro-8-fluoro-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one
CID 178034452
[(3R)-7-[(1R)-1-hydroxyethyl]-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]urea
CID 178034142
[(3R)-7-chloro-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl] carbamate
CID 178034093
(3R)-3-amino-1-[(1S)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3,4-dihydroquinolin-2-one
CID 178034410
(3R)-3-amino-1-(1-cyclopentylethyl)-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one
CID 178034521
tert-butyl N-[(3R)-7-cyano-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]carbamate
CID 178034140
3,7-bis[(1R)-1-phenylethyl]-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone
CID 134961753
[(3R)-6-fluoro-2-oxo-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-3-yl]urea
CID 178034082
tert-butyl N-[(3R)-2-oxo-1-[(1S)-1-phenylethyl]-7-(trifluoromethoxy)-3,4-dihydroquinolin-3-yl]carbamate
CID 178034326

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-7-cyclopropyl-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of (3R)-3-amino-7-cyclopropyl-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one (CID 178034289) is (3R)-3-amino-7-cyclopropyl-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for (3R)-3-amino-7-cyclopropyl-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for (3R)-3-amino-7-cyclopropyl-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one is C[C@@H](c1ccccc1)N1C(=O)[C@H](N)Cc2ccc(C3CC3)cc21.
What is the InChIKey of (3R)-3-amino-7-cyclopropyl-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one?
The InChIKey is GCTXZFSWPVIXQN-SCLBCKFNSA-N. The full InChI is InChI=1S/C20H22N2O/c1-13(14-5-3-2-4-6-14)22-19-12-16(15-7-8-15)9-10-17(19)11-18(21)20(22)23/h2-6,9-10,12-13,15,18H,7-8,11,21H2,1H3/t13-,18+/m0/s1.
What are the key properties of (3R)-3-amino-7-cyclopropyl-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one?
(3R)-3-amino-7-cyclopropyl-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one has a molecular weight of 306.41 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-7-cyclopropyl-1-[(1S)-1-phenylethyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 178034289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).