(3R)-3-[(1S)-1-methoxyethyl]-3-(phenylmethoxyamino)-1,4-dihydroquinolin-2-one

C19H22N2O3 — CID 159322138

IUPAC(3R)-3-[(1S)-1-methoxyethyl]-3-(phenylmethoxyamino)-1,4-dihydroquinolin-2-one
SMILESCO[C@@H](C)[C@]1(NOCc2ccccc2)Cc2ccccc2NC1=O
InChIInChI=1S/C19H22N2O3/c1-14(23-2)19(21-24-13-15-8-4-3-5-9-15)12-16-10-6-7-11-17(16)20-18(19)22/h3-11,14,21H,12-13H2,1-2H3,(H,20,22)/t14-,19+/m0/s1
InChIKeyLDXACBFRTDYGQZ-IFXJQAMLSA-N
MW326.40 g/mol
LogP2.68
Rot. Bonds6

About (3R)-3-[(1S)-1-methoxyethyl]-3-(phenylmethoxyamino)-1,4-dihydroquinolin-2-one

(3R)-3-[(1S)-1-methoxyethyl]-3-(phenylmethoxyamino)-1,4-dihydroquinolin-2-one (PubChem CID 159322138) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is (3R)-3-[(1S)-1-methoxyethyl]-3-(phenylmethoxyamino)-1,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name(3R)-3-[(1S)-1-methoxyethyl]-3-(phenylmethoxyamino)-1,4-dihydroquinolin-2-one
PubChem CID159322138
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name(3R)-3-[(1S)-1-methoxyethyl]-3-(phenylmethoxyamino)-1,4-dihydroquinolin-2-one
SMILESCO[C@@H](C)[C@]1(NOCc2ccccc2)Cc2ccccc2NC1=O
InChIInChI=1S/C19H22N2O3/c1-14(23-2)19(21-24-13-15-8-4-3-5-9-15)12-16-10-6-7-11-17(16)20-18(19)22/h3-11,14,21H,12-13H2,1-2H3,(H,20,22)/t14-,19+/m0/s1
InChIKeyLDXACBFRTDYGQZ-IFXJQAMLSA-N
XLogP2.68
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-3-(phenylmethoxyamino)-1H-indol-2-one
CID 86047957
(3R)-3-amino-3-benzyl-1,4-dihydroquinolin-2-one
CID 95387057
3-methyl-2-oxo-1,4-dihydroquinoline-3-carboxylic acid
CID 19820541
benzyl 1,4-dihydroquinoline-3-carboxylate
CID 143406965
benzyl propanoate;3,4-dihydro-1H-quinolin-2-one
CID 70445748
1'-(3-methylbutyl)spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one
CID 134793461
1'-propan-2-ylspiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
CID 176678107
(2R)-2-amino-N-phenylmethoxypropanamide
CID 54406296
2-[(3S)-3-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-4-yl]acetic acid
CID 70505967
1'-[(3-methoxyphenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
CID 134795243
3-(2-methylpropoxyamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313456
2-(2-oxo-4-propan-2-yl-3,5-dihydro-1H-1-benzazepin-4-yl)propanoic acid
CID 163747765

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(1S)-1-methoxyethyl]-3-(phenylmethoxyamino)-1,4-dihydroquinolin-2-one?
The IUPAC name of (3R)-3-[(1S)-1-methoxyethyl]-3-(phenylmethoxyamino)-1,4-dihydroquinolin-2-one (CID 159322138) is (3R)-3-[(1S)-1-methoxyethyl]-3-(phenylmethoxyamino)-1,4-dihydroquinolin-2-one.
What is the SMILES notation for (3R)-3-[(1S)-1-methoxyethyl]-3-(phenylmethoxyamino)-1,4-dihydroquinolin-2-one?
The canonical SMILES for (3R)-3-[(1S)-1-methoxyethyl]-3-(phenylmethoxyamino)-1,4-dihydroquinolin-2-one is CO[C@@H](C)[C@]1(NOCc2ccccc2)Cc2ccccc2NC1=O.
What is the InChIKey of (3R)-3-[(1S)-1-methoxyethyl]-3-(phenylmethoxyamino)-1,4-dihydroquinolin-2-one?
The InChIKey is LDXACBFRTDYGQZ-IFXJQAMLSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14(23-2)19(21-24-13-15-8-4-3-5-9-15)12-16-10-6-7-11-17(16)20-18(19)22/h3-11,14,21H,12-13H2,1-2H3,(H,20,22)/t14-,19+/m0/s1.
What are the key properties of (3R)-3-[(1S)-1-methoxyethyl]-3-(phenylmethoxyamino)-1,4-dihydroquinolin-2-one?
(3R)-3-[(1S)-1-methoxyethyl]-3-(phenylmethoxyamino)-1,4-dihydroquinolin-2-one has a molecular weight of 326.40 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(1S)-1-methoxyethyl]-3-(phenylmethoxyamino)-1,4-dihydroquinolin-2-one is sourced from PubChem (CID 159322138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).