3-amino-4-[2-(diethylamino)ethyl]quinoline-2-carboxylic acid

C16H21N3O2 — CID 141225628

IUPAC3-amino-4-[2-(diethylamino)ethyl]quinoline-2-carboxylic acid
SMILESCCN(CC)CCc1c(N)c(C(=O)O)nc2ccccc12
InChIInChI=1S/C16H21N3O2/c1-3-19(4-2)10-9-12-11-7-5-6-8-13(11)18-15(14(12)17)16(20)21/h5-8H,3-4,9-10,17H2,1-2H3,(H,20,21)
InChIKeyCFKYVADMAWXXLD-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.40
Rot. Bonds6

About 3-amino-4-[2-(diethylamino)ethyl]quinoline-2-carboxylic acid

3-amino-4-[2-(diethylamino)ethyl]quinoline-2-carboxylic acid (PubChem CID 141225628) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-amino-4-[2-(diethylamino)ethyl]quinoline-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-4-[2-(diethylamino)ethyl]quinoline-2-carboxylic acid
PubChem CID141225628
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-amino-4-[2-(diethylamino)ethyl]quinoline-2-carboxylic acid
SMILESCCN(CC)CCc1c(N)c(C(=O)O)nc2ccccc12
InChIInChI=1S/C16H21N3O2/c1-3-19(4-2)10-9-12-11-7-5-6-8-13(11)18-15(14(12)17)16(20)21/h5-8H,3-4,9-10,17H2,1-2H3,(H,20,21)
InChIKeyCFKYVADMAWXXLD-UHFFFAOYSA-N
XLogP2.40
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-4-[2-(diethylamino)ethyl]quinoline-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(diethylamino)ethyl acridine-9-carboxylate;hydrochloride
CID 138400827
N,3,4-triethyl-N-propylquinoline-2-carboxamide
CID 56994978
4-[2-(diethylamino)ethylamino]quinazoline-2-carboxylic acid
CID 62407799
methyl 3-[(4-aminoquinazolin-2-yl)methyl-ethylamino]propanoate
CID 62028118
iridium;phenanthridine-6-carboxylic acid
CID 59015465
2-amino-N-ethyl-N-(2-hydroxyethyl)quinazoline-4-carboxamide
CID 143745283
1-[2-(diethylamino)ethoxy]isoquinoline-3-carboxylic acid
CID 61102288
N-(2-acridin-9-ylethyl)-N-methylpropanimidamide
CID 102168415
9-aminophenanthridine-6-carboxylic acid
CID 131861121
3,4-diamino-2-[3-(diethylamino)propyl]benzoic acid
CID 70363525
2-amino-N,N-diethylquinoline-4-carboxamide
CID 62155871
2-chloro-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide
CID 13255244

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[2-(diethylamino)ethyl]quinoline-2-carboxylic acid?
The IUPAC name of 3-amino-4-[2-(diethylamino)ethyl]quinoline-2-carboxylic acid (CID 141225628) is 3-amino-4-[2-(diethylamino)ethyl]quinoline-2-carboxylic acid.
What is the SMILES notation for 3-amino-4-[2-(diethylamino)ethyl]quinoline-2-carboxylic acid?
The canonical SMILES for 3-amino-4-[2-(diethylamino)ethyl]quinoline-2-carboxylic acid is CCN(CC)CCc1c(N)c(C(=O)O)nc2ccccc12.
What is the InChIKey of 3-amino-4-[2-(diethylamino)ethyl]quinoline-2-carboxylic acid?
The InChIKey is CFKYVADMAWXXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-19(4-2)10-9-12-11-7-5-6-8-13(11)18-15(14(12)17)16(20)21/h5-8H,3-4,9-10,17H2,1-2H3,(H,20,21).
What are the key properties of 3-amino-4-[2-(diethylamino)ethyl]quinoline-2-carboxylic acid?
3-amino-4-[2-(diethylamino)ethyl]quinoline-2-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[2-(diethylamino)ethyl]quinoline-2-carboxylic acid is sourced from PubChem (CID 141225628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).