2-[2-[bis(2-methylpropyl)amino]ethylamino]quinoline-4-carboxylic acid

C20H29N3O2 — CID 50805962

IUPAC2-[2-[bis(2-methylpropyl)amino]ethylamino]quinoline-4-carboxylic acid
SMILESCC(C)CN(CCNc1cc(C(=O)O)c2ccccc2n1)CC(C)C
InChIInChI=1S/C20H29N3O2/c1-14(2)12-23(13-15(3)4)10-9-21-19-11-17(20(24)25)16-7-5-6-8-18(16)22-19/h5-8,11,14-15H,9-10,12-13H2,1-4H3,(H,21,22)(H,24,25)
InChIKeyOWWMOWLXFXFSGN-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.96
Rot. Bonds9

About 2-[2-[bis(2-methylpropyl)amino]ethylamino]quinoline-4-carboxylic acid

2-[2-[bis(2-methylpropyl)amino]ethylamino]quinoline-4-carboxylic acid (PubChem CID 50805962) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-[2-[bis(2-methylpropyl)amino]ethylamino]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[bis(2-methylpropyl)amino]ethylamino]quinoline-4-carboxylic acid
PubChem CID50805962
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name2-[2-[bis(2-methylpropyl)amino]ethylamino]quinoline-4-carboxylic acid
SMILESCC(C)CN(CCNc1cc(C(=O)O)c2ccccc2n1)CC(C)C
InChIInChI=1S/C20H29N3O2/c1-14(2)12-23(13-15(3)4)10-9-21-19-11-17(20(24)25)16-7-5-6-8-18(16)22-19/h5-8,11,14-15H,9-10,12-13H2,1-4H3,(H,21,22)(H,24,25)
InChIKeyOWWMOWLXFXFSGN-UHFFFAOYSA-N
XLogP3.96
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(propan-2-ylamino)quinoline-4-carboxylic acid
CID 43154773
2-(3,3-dimethylbutan-2-ylamino)quinoline-4-carboxylic acid
CID 104828568
2-[3-[cyclohexyl(methyl)amino]propylamino]quinoline-4-carboxylic acid
CID 50805947
N-[2-[bis(2-methylpropyl)amino]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 4302865
2-(but-2-ynylamino)quinoline-4-carboxylic acid
CID 113464681
N-[3-[bis(2-methylpropyl)amino]propyl]-2-(2-methoxyanilino)quinoline-4-carboxamide
CID 122175018
N',N'-dimethyl-N-(4-propan-2-ylquinolin-2-yl)ethane-1,2-diamine
CID 90395677
2-[(3-hydroxy-2,2-dimethylpropyl)amino]quinoline-4-carboxylic acid
CID 115360551
N-[2-[bis(2-methylpropyl)amino]ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 15987887
N-ethyl-2-hydrazinyl-N-(2-methylpropyl)quinoline-4-carboxamide
CID 62242827
2-(2-aminopropylamino)quinoline-4-carboxamide
CID 63884670
2-[(2-methylcyclopropyl)methylamino]quinoline-4-carboxylic acid
CID 113463887

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(2-methylpropyl)amino]ethylamino]quinoline-4-carboxylic acid?
The IUPAC name of 2-[2-[bis(2-methylpropyl)amino]ethylamino]quinoline-4-carboxylic acid (CID 50805962) is 2-[2-[bis(2-methylpropyl)amino]ethylamino]quinoline-4-carboxylic acid.
What is the SMILES notation for 2-[2-[bis(2-methylpropyl)amino]ethylamino]quinoline-4-carboxylic acid?
The canonical SMILES for 2-[2-[bis(2-methylpropyl)amino]ethylamino]quinoline-4-carboxylic acid is CC(C)CN(CCNc1cc(C(=O)O)c2ccccc2n1)CC(C)C.
What is the InChIKey of 2-[2-[bis(2-methylpropyl)amino]ethylamino]quinoline-4-carboxylic acid?
The InChIKey is OWWMOWLXFXFSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-14(2)12-23(13-15(3)4)10-9-21-19-11-17(20(24)25)16-7-5-6-8-18(16)22-19/h5-8,11,14-15H,9-10,12-13H2,1-4H3,(H,21,22)(H,24,25).
What are the key properties of 2-[2-[bis(2-methylpropyl)amino]ethylamino]quinoline-4-carboxylic acid?
2-[2-[bis(2-methylpropyl)amino]ethylamino]quinoline-4-carboxylic acid has a molecular weight of 343.47 g/mol, XLogP of 3.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(2-methylpropyl)amino]ethylamino]quinoline-4-carboxylic acid is sourced from PubChem (CID 50805962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).