prop-2-enyl 5-aminoquinoline-4-carboxylate

C13H12N2O2 — CID 19390597

IUPACprop-2-enyl 5-aminoquinoline-4-carboxylate
SMILESC=CCOC(=O)c1ccnc2cccc(N)c12
InChIInChI=1S/C13H12N2O2/c1-2-8-17-13(16)9-6-7-15-11-5-3-4-10(14)12(9)11/h2-7H,1,8,14H2
InChIKeyXMXVVFOOKUZSKO-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.16
Rot. Bonds3

About prop-2-enyl 5-aminoquinoline-4-carboxylate

prop-2-enyl 5-aminoquinoline-4-carboxylate (PubChem CID 19390597) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is prop-2-enyl 5-aminoquinoline-4-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 5-aminoquinoline-4-carboxylate
PubChem CID19390597
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Nameprop-2-enyl 5-aminoquinoline-4-carboxylate
SMILESC=CCOC(=O)c1ccnc2cccc(N)c12
InChIInChI=1S/C13H12N2O2/c1-2-8-17-13(16)9-6-7-15-11-5-3-4-10(14)12(9)11/h2-7H,1,8,14H2
InChIKeyXMXVVFOOKUZSKO-UHFFFAOYSA-N
XLogP2.16
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Quinolinecarboxylic acid
CID 10243
Methyl quinoline-6-carboxylate
CID 736812
Cinchoninic acid, 2-(3-pyridyl)-
CID 24067
2-(Pyridin-4-yl)quinoline-4-carboxylic acid
CID 26587
Ethyl 4-((4-(diethylamino)phenyl)amino)-6-methylquinoline-3-carboxylate
CID 1568449
(1-butylpiperidin-4-yl)methyl 1H-indole-3-carboxylate
CID 10852772
Ethyl Indole-3-carboxylate
CID 247965
ethyl 3-(pyridin-4-yl)-1H-indole-6-carboxylate
CID 44410730
(1-Butylpiperidin-4-yl)methyl 2-cyclopropylquinoline-4-carboxylate
CID 145988201
Ethyl 4-[benzyl(methyl)amino]-6-methylquinoline-3-carboxylate
CID 696527
[2-(Ethylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2089511
[2-Oxo-2-(propan-2-ylamino)ethyl] 2-methylquinoline-4-carboxylate
CID 2427239

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 5-aminoquinoline-4-carboxylate?
The IUPAC name of prop-2-enyl 5-aminoquinoline-4-carboxylate (CID 19390597) is prop-2-enyl 5-aminoquinoline-4-carboxylate.
What is the SMILES notation for prop-2-enyl 5-aminoquinoline-4-carboxylate?
The canonical SMILES for prop-2-enyl 5-aminoquinoline-4-carboxylate is C=CCOC(=O)c1ccnc2cccc(N)c12.
What is the InChIKey of prop-2-enyl 5-aminoquinoline-4-carboxylate?
The InChIKey is XMXVVFOOKUZSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-2-8-17-13(16)9-6-7-15-11-5-3-4-10(14)12(9)11/h2-7H,1,8,14H2.
What are the key properties of prop-2-enyl 5-aminoquinoline-4-carboxylate?
prop-2-enyl 5-aminoquinoline-4-carboxylate has a molecular weight of 228.25 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 5-aminoquinoline-4-carboxylate is sourced from PubChem (CID 19390597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).