4-[methyl(2-methylbutyl)amino]cinnoline-3-carboxylic acid

C15H19N3O2 — CID 64624572

IUPAC4-[methyl(2-methylbutyl)amino]cinnoline-3-carboxylic acid
SMILESCCC(C)CN(C)c1c(C(=O)O)nnc2ccccc12
InChIInChI=1S/C15H19N3O2/c1-4-10(2)9-18(3)14-11-7-5-6-8-12(11)16-17-13(14)15(19)20/h5-8,10H,4,9H2,1-3H3,(H,19,20)
InChIKeyRNVWZPWZRIAXNN-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.81
Rot. Bonds5

About 4-[methyl(2-methylbutyl)amino]cinnoline-3-carboxylic acid

4-[methyl(2-methylbutyl)amino]cinnoline-3-carboxylic acid (PubChem CID 64624572) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[methyl(2-methylbutyl)amino]cinnoline-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(2-methylbutyl)amino]cinnoline-3-carboxylic acid
PubChem CID64624572
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-[methyl(2-methylbutyl)amino]cinnoline-3-carboxylic acid
SMILESCCC(C)CN(C)c1c(C(=O)O)nnc2ccccc12
InChIInChI=1S/C15H19N3O2/c1-4-10(2)9-18(3)14-11-7-5-6-8-12(11)16-17-13(14)15(19)20/h5-8,10H,4,9H2,1-3H3,(H,19,20)
InChIKeyRNVWZPWZRIAXNN-UHFFFAOYSA-N
XLogP2.81
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-cyanoethyl(methyl)amino]cinnoline-3-carboxylic acid
CID 64624771
4-(N-methylanilino)cinnoline-3-carboxylic acid
CID 64622262
4-[methyl(2-methylbutyl)amino]quinoline-3-carbothioamide
CID 43669646
4-[ethyl(2,2,2-trifluoroethyl)amino]cinnoline-3-carboxylic acid
CID 64622706
4-[2-cyanoethyl(propan-2-yl)amino]cinnoline-3-carboxylic acid
CID 64622292
4-(pentan-3-ylamino)cinnoline-3-carboxylic acid
CID 64625155
ethyl 4-[methyl(2-methylprop-2-enyl)amino]cinnoline-3-carboxylate
CID 115967641
4-[ethyl(methyl)amino]phthalazine-1-carboxylic acid
CID 42878221
2-chloro-N-methyl-N-(2-methylbutyl)quinazolin-4-amine
CID 62477689
ethyl 4-[1-hydroxypropan-2-yl(methyl)amino]cinnoline-3-carboxylate
CID 104552290
4-[2-[methyl(propan-2-yl)amino]ethylamino]cinnoline-3-carboxylic acid
CID 64623948
4-[(2-methyl-3-methylsulfanylpropyl)amino]cinnoline-3-carboxylic acid
CID 64622920

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2-methylbutyl)amino]cinnoline-3-carboxylic acid?
The IUPAC name of 4-[methyl(2-methylbutyl)amino]cinnoline-3-carboxylic acid (CID 64624572) is 4-[methyl(2-methylbutyl)amino]cinnoline-3-carboxylic acid.
What is the SMILES notation for 4-[methyl(2-methylbutyl)amino]cinnoline-3-carboxylic acid?
The canonical SMILES for 4-[methyl(2-methylbutyl)amino]cinnoline-3-carboxylic acid is CCC(C)CN(C)c1c(C(=O)O)nnc2ccccc12.
What is the InChIKey of 4-[methyl(2-methylbutyl)amino]cinnoline-3-carboxylic acid?
The InChIKey is RNVWZPWZRIAXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-10(2)9-18(3)14-11-7-5-6-8-12(11)16-17-13(14)15(19)20/h5-8,10H,4,9H2,1-3H3,(H,19,20).
What are the key properties of 4-[methyl(2-methylbutyl)amino]cinnoline-3-carboxylic acid?
4-[methyl(2-methylbutyl)amino]cinnoline-3-carboxylic acid has a molecular weight of 273.34 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2-methylbutyl)amino]cinnoline-3-carboxylic acid is sourced from PubChem (CID 64624572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).