(Z)-2-ethyl-4-(2-quinolin-8-ylethylamino)but-2-enoic acid

C17H20N2O2 — CID 103258780

IUPAC(Z)-2-ethyl-4-(2-quinolin-8-ylethylamino)but-2-enoic acid
SMILESCC/C(=C/CNCCc1cccc2cccnc12)C(=O)O
InChIInChI=1S/C17H20N2O2/c1-2-13(17(20)21)8-11-18-12-9-15-6-3-5-14-7-4-10-19-16(14)15/h3-8,10,18H,2,9,11-12H2,1H3,(H,20,21)/b13-8-
InChIKeyXAMOMTNWSFCONO-JYRVWZFOSA-N
MW284.36 g/mol
LogP2.79
Rot. Bonds7

About (Z)-2-ethyl-4-(2-quinolin-8-ylethylamino)but-2-enoic acid

(Z)-2-ethyl-4-(2-quinolin-8-ylethylamino)but-2-enoic acid (PubChem CID 103258780) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (Z)-2-ethyl-4-(2-quinolin-8-ylethylamino)but-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-ethyl-4-(2-quinolin-8-ylethylamino)but-2-enoic acid
PubChem CID103258780
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(Z)-2-ethyl-4-(2-quinolin-8-ylethylamino)but-2-enoic acid
SMILESCC/C(=C/CNCCc1cccc2cccnc12)C(=O)O
InChIInChI=1S/C17H20N2O2/c1-2-13(17(20)21)8-11-18-12-9-15-6-3-5-14-7-4-10-19-16(14)15/h3-8,10,18H,2,9,11-12H2,1H3,(H,20,21)/b13-8-
InChIKeyXAMOMTNWSFCONO-JYRVWZFOSA-N
XLogP2.79
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-3-(2-quinolin-8-ylethylamino)propanoic acid
CID 81426656
(Z)-3-methyl-4-(2-quinolin-8-ylethylamino)but-2-enoic acid
CID 103258778
3-ethylsulfonyl-N-(2-quinolin-8-ylethyl)propan-1-amine
CID 81426941
N-ethyl-N-methyl-2-(2-quinolin-8-ylethylamino)acetamide
CID 81427020
6-quinolin-8-ylhexan-3-one
CID 132571149
(E)-N-(2-quinolin-8-ylethyl)but-2-enamide
CID 112723855
1-(2-quinolin-8-ylethylamino)propan-2-ol
CID 81428765
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
N-methyl-2-quinolin-8-ylethanamine
CID 62549686
2-[(2-quinolin-8-ylethylamino)methyl]phenol
CID 78916472
3-methoxy-2-(2-quinolin-8-ylethylamino)propanoic acid
CID 103258774
(2R)-2-amino-N-(2-quinolin-8-ylethyl)propanamide
CID 78983595

Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethyl-4-(2-quinolin-8-ylethylamino)but-2-enoic acid?
The IUPAC name of (Z)-2-ethyl-4-(2-quinolin-8-ylethylamino)but-2-enoic acid (CID 103258780) is (Z)-2-ethyl-4-(2-quinolin-8-ylethylamino)but-2-enoic acid.
What is the SMILES notation for (Z)-2-ethyl-4-(2-quinolin-8-ylethylamino)but-2-enoic acid?
The canonical SMILES for (Z)-2-ethyl-4-(2-quinolin-8-ylethylamino)but-2-enoic acid is CC/C(=C/CNCCc1cccc2cccnc12)C(=O)O.
What is the InChIKey of (Z)-2-ethyl-4-(2-quinolin-8-ylethylamino)but-2-enoic acid?
The InChIKey is XAMOMTNWSFCONO-JYRVWZFOSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-13(17(20)21)8-11-18-12-9-15-6-3-5-14-7-4-10-19-16(14)15/h3-8,10,18H,2,9,11-12H2,1H3,(H,20,21)/b13-8-.
What are the key properties of (Z)-2-ethyl-4-(2-quinolin-8-ylethylamino)but-2-enoic acid?
(Z)-2-ethyl-4-(2-quinolin-8-ylethylamino)but-2-enoic acid has a molecular weight of 284.36 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethyl-4-(2-quinolin-8-ylethylamino)but-2-enoic acid is sourced from PubChem (CID 103258780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).