2-(6-amino-3-pyridinyl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid

C19H20N4O2 — CID 141344901

IUPAC2-(6-amino-3-pyridinyl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid
SMILESCC(C)N(C)c1cc2cc(C(=O)O)ccc2nc1-c1ccc(N)nc1
InChIInChI=1S/C19H20N4O2/c1-11(2)23(3)16-9-14-8-12(19(24)25)4-6-15(14)22-18(16)13-5-7-17(20)21-10-13/h4-11H,1-3H3,(H2,20,21)(H,24,25)
InChIKeyGHGFGYJMFOCLCA-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.42
Rot. Bonds4

About 2-(6-amino-3-pyridinyl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid

2-(6-amino-3-pyridinyl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid (PubChem CID 141344901) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-(6-amino-3-pyridinyl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid.

Molecular Properties

Compound Name2-(6-amino-3-pyridinyl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid
PubChem CID141344901
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-(6-amino-3-pyridinyl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid
SMILESCC(C)N(C)c1cc2cc(C(=O)O)ccc2nc1-c1ccc(N)nc1
InChIInChI=1S/C19H20N4O2/c1-11(2)23(3)16-9-14-8-12(19(24)25)4-6-15(14)22-18(16)13-5-7-17(20)21-10-13/h4-11H,1-3H3,(H2,20,21)(H,24,25)
InChIKeyGHGFGYJMFOCLCA-UHFFFAOYSA-N
XLogP3.42
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2H-benzotriazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid
CID 141344712
2-(1H-indazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid
CID 141344445
3-[cyclopropyl(methyl)amino]-2-phenylquinoline-6-carboxylic acid
CID 141344770
2-(5-chloro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid
CID 141344555
2-(benzimidazol-1-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid
CID 141344546
methyl 2-(2-methyl-1H-indol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylate
CID 141447996
3-[cyclopropyl(methyl)amino]-2-(2-methyl-1H-indol-5-yl)quinoline-6-carboxylic acid
CID 141448054
6-aminopyridine-3-carboxylic acid;ethane
CID 142242146
2-(4-acetamidophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid
CID 70665292
methyl 3-[methyl(propan-2-yl)amino]-2-(3-phenylfuran-2-yl)quinoline-6-carboxylate
CID 141448044
6-amino-N-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 62154358
acridino[5,6-b]quinoline-3,10-dicarboxylic acid
CID 91152992

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-3-pyridinyl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid?
The IUPAC name of 2-(6-amino-3-pyridinyl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid (CID 141344901) is 2-(6-amino-3-pyridinyl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid.
What is the SMILES notation for 2-(6-amino-3-pyridinyl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid?
The canonical SMILES for 2-(6-amino-3-pyridinyl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid is CC(C)N(C)c1cc2cc(C(=O)O)ccc2nc1-c1ccc(N)nc1.
What is the InChIKey of 2-(6-amino-3-pyridinyl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid?
The InChIKey is GHGFGYJMFOCLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-11(2)23(3)16-9-14-8-12(19(24)25)4-6-15(14)22-18(16)13-5-7-17(20)21-10-13/h4-11H,1-3H3,(H2,20,21)(H,24,25).
What are the key properties of 2-(6-amino-3-pyridinyl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid?
2-(6-amino-3-pyridinyl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid has a molecular weight of 336.40 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-3-pyridinyl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid is sourced from PubChem (CID 141344901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).