(3R)-3-amino-4-(2-fluorophenyl)-N-[(3R,4S)-1-methoxy-2-oxo-4-phenyl-3,4-dihydroquinolin-3-yl]butanamide

C26H26FN3O3 — CID 59649677

IUPAC(3R)-3-amino-4-(2-fluorophenyl)-N-[(3R,4S)-1-methoxy-2-oxo-4-phenyl-3,4-dihydroquinolin-3-yl]butanamide
SMILESCON1C(=O)[C@H](NC(=O)C[C@H](N)Cc2ccccc2F)[C@@H](c2ccccc2)c2ccccc21
InChIInChI=1S/C26H26FN3O3/c1-33-30-22-14-8-6-12-20(22)24(17-9-3-2-4-10-17)25(26(30)32)29-23(31)16-19(28)15-18-11-5-7-13-21(18)27/h2-14,19,24-25H,15-16,28H2,1H3,(H,29,31)/t19-,24+,25-/m1/s1
InChIKeyHTPYAANSGVPKPU-BTZRARBUSA-N
MW447.51 g/mol
LogP3.31
Rot. Bonds7

About (3R)-3-amino-4-(2-fluorophenyl)-N-[(3R,4S)-1-methoxy-2-oxo-4-phenyl-3,4-dihydroquinolin-3-yl]butanamide

(3R)-3-amino-4-(2-fluorophenyl)-N-[(3R,4S)-1-methoxy-2-oxo-4-phenyl-3,4-dihydroquinolin-3-yl]butanamide (PubChem CID 59649677) has the molecular formula C26H26FN3O3 and a molecular weight of 447.51 g/mol. Its IUPAC name is (3R)-3-amino-4-(2-fluorophenyl)-N-[(3R,4S)-1-methoxy-2-oxo-4-phenyl-3,4-dihydroquinolin-3-yl]butanamide.

Molecular Properties

Compound Name(3R)-3-amino-4-(2-fluorophenyl)-N-[(3R,4S)-1-methoxy-2-oxo-4-phenyl-3,4-dihydroquinolin-3-yl]butanamide
PubChem CID59649677
Molecular FormulaC26H26FN3O3
Molecular Weight447.51 g/mol
Exact Mass447.20
IUPAC Name(3R)-3-amino-4-(2-fluorophenyl)-N-[(3R,4S)-1-methoxy-2-oxo-4-phenyl-3,4-dihydroquinolin-3-yl]butanamide
SMILESCON1C(=O)[C@H](NC(=O)C[C@H](N)Cc2ccccc2F)[C@@H](c2ccccc2)c2ccccc21
InChIInChI=1S/C26H26FN3O3/c1-33-30-22-14-8-6-12-20(22)24(17-9-3-2-4-10-17)25(26(30)32)29-23(31)16-19(28)15-18-11-5-7-13-21(18)27/h2-14,19,24-25H,15-16,28H2,1H3,(H,29,31)/t19-,24+,25-/m1/s1
InChIKeyHTPYAANSGVPKPU-BTZRARBUSA-N
XLogP3.31
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-3-amino-4-(2-fluorophenyl)-N-[(3R,4S)-1-methoxy-2-oxo-4-phenyl-3,4-dihydroquinolin-3-yl]butanamide with MolForge

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Launch Full Analysis

Related Compounds

2-[3-[[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]amino]-2-oxo-3,4-dihydro-1H-quinolin-4-yl]acetic acid
CID 69374584
(4R)-4-amino-5-(2-fluorophenyl)pentan-2-one
CID 59650649
(3R)-3-amino-4-(2-fluorophenyl)-N-[2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1,5-naphthyridin-3-yl]butanamide
CID 11534288
(3R)-3-amino-4-(2-fluorophenyl)-N-[2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1,5-naphthyridin-3-yl]butanamide;dihydrochloride
CID 87743095
(3R)-3-amino-4-(2-fluorophenyl)butanamide
CID 143290720
(3R)-3-amino-4-(2-fluorophenyl)-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 11233630
(3R)-3-amino-4-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 11537671
methyl (2R)-2-amino-3-(2-fluorophenyl)propanoate;hydrochloride
CID 69489037
(3R)-3-amino-N-[1-(4-chlorophenyl)ethyl]-4-(2-fluorophenyl)butanamide
CID 11616967
(3R)-3-amino-4-(2-fluorophenyl)-N-(1-methyl-4-phenylpiperidin-4-yl)butanamide
CID 44589879
(3R)-3-amino-4-(2-fluorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]butanamide
CID 11522773
(3R)-3-amino-N-[1-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide
CID 11654122

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-(2-fluorophenyl)-N-[(3R,4S)-1-methoxy-2-oxo-4-phenyl-3,4-dihydroquinolin-3-yl]butanamide?
The IUPAC name of (3R)-3-amino-4-(2-fluorophenyl)-N-[(3R,4S)-1-methoxy-2-oxo-4-phenyl-3,4-dihydroquinolin-3-yl]butanamide (CID 59649677) is (3R)-3-amino-4-(2-fluorophenyl)-N-[(3R,4S)-1-methoxy-2-oxo-4-phenyl-3,4-dihydroquinolin-3-yl]butanamide.
What is the SMILES notation for (3R)-3-amino-4-(2-fluorophenyl)-N-[(3R,4S)-1-methoxy-2-oxo-4-phenyl-3,4-dihydroquinolin-3-yl]butanamide?
The canonical SMILES for (3R)-3-amino-4-(2-fluorophenyl)-N-[(3R,4S)-1-methoxy-2-oxo-4-phenyl-3,4-dihydroquinolin-3-yl]butanamide is CON1C(=O)[C@H](NC(=O)C[C@H](N)Cc2ccccc2F)[C@@H](c2ccccc2)c2ccccc21.
What is the InChIKey of (3R)-3-amino-4-(2-fluorophenyl)-N-[(3R,4S)-1-methoxy-2-oxo-4-phenyl-3,4-dihydroquinolin-3-yl]butanamide?
The InChIKey is HTPYAANSGVPKPU-BTZRARBUSA-N. The full InChI is InChI=1S/C26H26FN3O3/c1-33-30-22-14-8-6-12-20(22)24(17-9-3-2-4-10-17)25(26(30)32)29-23(31)16-19(28)15-18-11-5-7-13-21(18)27/h2-14,19,24-25H,15-16,28H2,1H3,(H,29,31)/t19-,24+,25-/m1/s1.
What are the key properties of (3R)-3-amino-4-(2-fluorophenyl)-N-[(3R,4S)-1-methoxy-2-oxo-4-phenyl-3,4-dihydroquinolin-3-yl]butanamide?
(3R)-3-amino-4-(2-fluorophenyl)-N-[(3R,4S)-1-methoxy-2-oxo-4-phenyl-3,4-dihydroquinolin-3-yl]butanamide has a molecular weight of 447.51 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-(2-fluorophenyl)-N-[(3R,4S)-1-methoxy-2-oxo-4-phenyl-3,4-dihydroquinolin-3-yl]butanamide is sourced from PubChem (CID 59649677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).