(E)-3-(dimethylamino)-2-quinolin-6-ylprop-2-enoic acid

C14H14N2O2 — CID 175310043

IUPAC(E)-3-(dimethylamino)-2-quinolin-6-ylprop-2-enoic acid
SMILESCN(C)/C=C(/C(=O)O)c1ccc2ncccc2c1
InChIInChI=1S/C14H14N2O2/c1-16(2)9-12(14(17)18)10-5-6-13-11(8-10)4-3-7-15-13/h3-9H,1-2H3,(H,17,18)/b12-9+
InChIKeyKJPWOZOXEWWBEV-FMIVXFBMSA-N
MW242.28 g/mol
LogP2.22
Rot. Bonds3

About (E)-3-(dimethylamino)-2-quinolin-6-ylprop-2-enoic acid

(E)-3-(dimethylamino)-2-quinolin-6-ylprop-2-enoic acid (PubChem CID 175310043) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is (E)-3-(dimethylamino)-2-quinolin-6-ylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(dimethylamino)-2-quinolin-6-ylprop-2-enoic acid
PubChem CID175310043
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name(E)-3-(dimethylamino)-2-quinolin-6-ylprop-2-enoic acid
SMILESCN(C)/C=C(/C(=O)O)c1ccc2ncccc2c1
InChIInChI=1S/C14H14N2O2/c1-16(2)9-12(14(17)18)10-5-6-13-11(8-10)4-3-7-15-13/h3-9H,1-2H3,(H,17,18)/b12-9+
InChIKeyKJPWOZOXEWWBEV-FMIVXFBMSA-N
XLogP2.22
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylamino)-1-quinolin-6-ylprop-2-en-1-one
CID 155675024
ethane;quinoline-6-carboxylic acid
CID 91364452
6-[(E)-1-fluoroprop-1-enyl]quinoline
CID 173227059
N-(2-bromoethyl)-N-methylquinoline-6-carboxamide
CID 80658342
2-[ethyl(quinoline-6-carbonyl)amino]acetic acid
CID 62849704
2,2,2-trifluoro-1-quinolin-6-ylethanone
CID 66466769
2,2-dimethoxy-1-quinolin-6-ylethanone
CID 81221029
2-(methylamino)-1-quinolin-6-ylethanone
CID 84669481
(3-methyl-2-pyridinyl)-quinolin-6-ylmethanone
CID 81220326
N-(5-chloropentyl)-N-methylquinoline-6-carboxamide
CID 107205485
2-methyl-2-(quinoline-6-carbonylamino)propanoic acid
CID 62849360
pyridin-3-yl(quinolin-6-yl)methanone
CID 63097549

Frequently Asked Questions

What is the IUPAC name of (E)-3-(dimethylamino)-2-quinolin-6-ylprop-2-enoic acid?
The IUPAC name of (E)-3-(dimethylamino)-2-quinolin-6-ylprop-2-enoic acid (CID 175310043) is (E)-3-(dimethylamino)-2-quinolin-6-ylprop-2-enoic acid.
What is the SMILES notation for (E)-3-(dimethylamino)-2-quinolin-6-ylprop-2-enoic acid?
The canonical SMILES for (E)-3-(dimethylamino)-2-quinolin-6-ylprop-2-enoic acid is CN(C)/C=C(/C(=O)O)c1ccc2ncccc2c1.
What is the InChIKey of (E)-3-(dimethylamino)-2-quinolin-6-ylprop-2-enoic acid?
The InChIKey is KJPWOZOXEWWBEV-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-16(2)9-12(14(17)18)10-5-6-13-11(8-10)4-3-7-15-13/h3-9H,1-2H3,(H,17,18)/b12-9+.
What are the key properties of (E)-3-(dimethylamino)-2-quinolin-6-ylprop-2-enoic acid?
(E)-3-(dimethylamino)-2-quinolin-6-ylprop-2-enoic acid has a molecular weight of 242.28 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(dimethylamino)-2-quinolin-6-ylprop-2-enoic acid is sourced from PubChem (CID 175310043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).