(E)-2-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]hex-4-enoic acid

C18H20N2O4 — CID 120693173

IUPAC(E)-2-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]hex-4-enoic acid
SMILESC/C=C/CC(NC(=O)c1cc2ccc(OC)cc2nc1C)C(=O)O
InChIInChI=1S/C18H20N2O4/c1-4-5-6-15(18(22)23)20-17(21)14-9-12-7-8-13(24-3)10-16(12)19-11(14)2/h4-5,7-10,15H,6H2,1-3H3,(H,20,21)(H,22,23)/b5-4+
InChIKeyYEQKOYKICBQGLH-SNAWJCMRSA-N
MW328.37 g/mol
LogP2.70
Rot. Bonds6

About (E)-2-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]hex-4-enoic acid

(E)-2-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]hex-4-enoic acid (PubChem CID 120693173) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is (E)-2-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]hex-4-enoic acid.

Molecular Properties

Compound Name(E)-2-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]hex-4-enoic acid
PubChem CID120693173
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name(E)-2-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]hex-4-enoic acid
SMILESC/C=C/CC(NC(=O)c1cc2ccc(OC)cc2nc1C)C(=O)O
InChIInChI=1S/C18H20N2O4/c1-4-5-6-15(18(22)23)20-17(21)14-9-12-7-8-13(24-3)10-16(12)19-11(14)2/h4-5,7-10,15H,6H2,1-3H3,(H,20,21)(H,22,23)/b5-4+
InChIKeyYEQKOYKICBQGLH-SNAWJCMRSA-N
XLogP2.70
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-2-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]hex-4-enoic acid with MolForge

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Related Compounds

7-methoxy-2-methyl-N-pentan-3-ylquinoline-3-carboxamide
CID 78829924
3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]-2-methylpropanoic acid
CID 120525822
(2S)-2-[[2-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120694929
(E)-2-[(4-methoxy-2-propan-2-yloxybenzoyl)amino]hex-4-enoic acid
CID 120694213
(E)-2-[3-(4-methoxyphenyl)sulfanylpropanoylamino]hex-4-enoic acid
CID 120692650
7-methoxy-2-methyl-N-(2-methylpropyl)quinoline-3-carboxamide
CID 17425471
N-(2-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78856115
N-ethoxy-7-methoxy-2-methylquinoline-3-carboxamide
CID 18169112
(E)-2-[(5-methoxy-3-methyl-1-benzothiophene-2-carbonyl)amino]hex-4-enoic acid
CID 120692557
N-[(2R)-2-(ethylamino)propyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 120653655
(E)-2-[(4-bromo-2-methoxybenzoyl)amino]hex-4-enoic acid
CID 120692805
N-(3-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78854787

Frequently Asked Questions

What is the IUPAC name of (E)-2-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]hex-4-enoic acid?
The IUPAC name of (E)-2-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]hex-4-enoic acid (CID 120693173) is (E)-2-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]hex-4-enoic acid.
What is the SMILES notation for (E)-2-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]hex-4-enoic acid?
The canonical SMILES for (E)-2-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]hex-4-enoic acid is C/C=C/CC(NC(=O)c1cc2ccc(OC)cc2nc1C)C(=O)O.
What is the InChIKey of (E)-2-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]hex-4-enoic acid?
The InChIKey is YEQKOYKICBQGLH-SNAWJCMRSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-4-5-6-15(18(22)23)20-17(21)14-9-12-7-8-13(24-3)10-16(12)19-11(14)2/h4-5,7-10,15H,6H2,1-3H3,(H,20,21)(H,22,23)/b5-4+.
What are the key properties of (E)-2-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]hex-4-enoic acid?
(E)-2-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]hex-4-enoic acid has a molecular weight of 328.37 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]hex-4-enoic acid is sourced from PubChem (CID 120693173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).