(3R)-3-amino-4-(2-fluorophenyl)-N-(2-oxo-1H-quinolin-3-yl)butanamide chloride

C19H18ClFN3O2- — CID 11566979

IUPAC(3R)-3-amino-4-(2-fluorophenyl)-N-(2-oxo-1H-quinolin-3-yl)butanamide chloride
SMILESN[C@@H](CC(=O)Nc1cc2ccccc2[nH]c1=O)Cc1ccccc1F.[Cl-]
InChIInChI=1S/C19H18FN3O2.ClH/c20-15-7-3-1-5-12(15)9-14(21)11-18(24)22-17-10-13-6-2-4-8-16(13)23-19(17)25;/h1-8,10,14H,9,11,21H2,(H,22,24)(H,23,25);1H/p-1/t14-;/m1./s1
InChIKeyUDELGUQNUUZVFG-PFEQFJNWSA-M
MW374.82 g/mol
LogP-0.43
Rot. Bonds5

About (3R)-3-amino-4-(2-fluorophenyl)-N-(2-oxo-1H-quinolin-3-yl)butanamide chloride

(3R)-3-amino-4-(2-fluorophenyl)-N-(2-oxo-1H-quinolin-3-yl)butanamide chloride (PubChem CID 11566979) has the molecular formula C19H18ClFN3O2- and a molecular weight of 374.82 g/mol. Its IUPAC name is (3R)-3-amino-4-(2-fluorophenyl)-N-(2-oxo-1H-quinolin-3-yl)butanamide chloride.

Molecular Properties

Compound Name(3R)-3-amino-4-(2-fluorophenyl)-N-(2-oxo-1H-quinolin-3-yl)butanamide chloride
PubChem CID11566979
Molecular FormulaC19H18ClFN3O2-
Molecular Weight374.82 g/mol
Exact Mass374.11
IUPAC Name(3R)-3-amino-4-(2-fluorophenyl)-N-(2-oxo-1H-quinolin-3-yl)butanamide chloride
SMILESN[C@@H](CC(=O)Nc1cc2ccccc2[nH]c1=O)Cc1ccccc1F.[Cl-]
InChIInChI=1S/C19H18FN3O2.ClH/c20-15-7-3-1-5-12(15)9-14(21)11-18(24)22-17-10-13-6-2-4-8-16(13)23-19(17)25;/h1-8,10,14H,9,11,21H2,(H,22,24)(H,23,25);1H/p-1/t14-;/m1./s1
InChIKeyUDELGUQNUUZVFG-PFEQFJNWSA-M
XLogP-0.43
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-(2-fluorophenyl)-N-(2-oxo-1H-quinolin-3-yl)butanamide chloride?
The IUPAC name of (3R)-3-amino-4-(2-fluorophenyl)-N-(2-oxo-1H-quinolin-3-yl)butanamide chloride (CID 11566979) is (3R)-3-amino-4-(2-fluorophenyl)-N-(2-oxo-1H-quinolin-3-yl)butanamide chloride.
What is the SMILES notation for (3R)-3-amino-4-(2-fluorophenyl)-N-(2-oxo-1H-quinolin-3-yl)butanamide chloride?
The canonical SMILES for (3R)-3-amino-4-(2-fluorophenyl)-N-(2-oxo-1H-quinolin-3-yl)butanamide chloride is N[C@@H](CC(=O)Nc1cc2ccccc2[nH]c1=O)Cc1ccccc1F.[Cl-].
What is the InChIKey of (3R)-3-amino-4-(2-fluorophenyl)-N-(2-oxo-1H-quinolin-3-yl)butanamide chloride?
The InChIKey is UDELGUQNUUZVFG-PFEQFJNWSA-M. The full InChI is InChI=1S/C19H18FN3O2.ClH/c20-15-7-3-1-5-12(15)9-14(21)11-18(24)22-17-10-13-6-2-4-8-16(13)23-19(17)25;/h1-8,10,14H,9,11,21H2,(H,22,24)(H,23,25);1H/p-1/t14-;/m1./s1.
What are the key properties of (3R)-3-amino-4-(2-fluorophenyl)-N-(2-oxo-1H-quinolin-3-yl)butanamide chloride?
(3R)-3-amino-4-(2-fluorophenyl)-N-(2-oxo-1H-quinolin-3-yl)butanamide chloride has a molecular weight of 374.82 g/mol, XLogP of -0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-(2-fluorophenyl)-N-(2-oxo-1H-quinolin-3-yl)butanamide chloride is sourced from PubChem (CID 11566979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).