4-[2-[methyl(propan-2-yl)amino]ethylamino]cinnoline-3-carboxylic acid

C15H20N4O2 — CID 64623948

IUPAC4-[2-[methyl(propan-2-yl)amino]ethylamino]cinnoline-3-carboxylic acid
SMILESCC(C)N(C)CCNc1c(C(=O)O)nnc2ccccc12
InChIInChI=1S/C15H20N4O2/c1-10(2)19(3)9-8-16-13-11-6-4-5-7-12(11)17-18-14(13)15(20)21/h4-7,10H,8-9H2,1-3H3,(H,16,17)(H,20,21)
InChIKeyWMHRITPSGSHDIT-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.08
Rot. Bonds6

About 4-[2-[methyl(propan-2-yl)amino]ethylamino]cinnoline-3-carboxylic acid

4-[2-[methyl(propan-2-yl)amino]ethylamino]cinnoline-3-carboxylic acid (PubChem CID 64623948) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[2-[methyl(propan-2-yl)amino]ethylamino]cinnoline-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-[methyl(propan-2-yl)amino]ethylamino]cinnoline-3-carboxylic acid
PubChem CID64623948
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-[2-[methyl(propan-2-yl)amino]ethylamino]cinnoline-3-carboxylic acid
SMILESCC(C)N(C)CCNc1c(C(=O)O)nnc2ccccc12
InChIInChI=1S/C15H20N4O2/c1-10(2)19(3)9-8-16-13-11-6-4-5-7-12(11)17-18-14(13)15(20)21/h4-7,10H,8-9H2,1-3H3,(H,16,17)(H,20,21)
InChIKeyWMHRITPSGSHDIT-UHFFFAOYSA-N
XLogP2.08
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-[methyl(propan-2-yl)amino]ethylamino]cinnoline-3-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

4-[(5-hydroxy-4-methylpentyl)amino]cinnoline-3-carboxylic acid
CID 106161885
4-(3-sulfamoylpropylamino)cinnoline-3-carboxylic acid
CID 64623944
4-(2,2-dimethylpropylamino)cinnoline-3-carboxylic acid
CID 64622283
4-[(2-methyl-3-methylsulfanylpropyl)amino]cinnoline-3-carboxylic acid
CID 64622920
4-(pentan-3-ylamino)cinnoline-3-carboxylic acid
CID 64625155
4-[(2-hydroxy-3-methoxypropyl)amino]cinnoline-3-carboxylic acid
CID 64623751
4-(3-methylbutan-2-ylamino)cinnoline-3-carboxylic acid
CID 64623106
4-(1-methylsulfonylpropan-2-ylamino)cinnoline-3-carboxylic acid
CID 64642064
4-[[2-(ethylamino)-2-oxoethyl]amino]cinnoline-3-carboxylic acid
CID 64622277
4-(4-hydroxybutan-2-ylamino)cinnoline-3-carboxylic acid
CID 83176269
4-(4-methoxybutan-2-ylamino)cinnoline-3-carboxylic acid
CID 64604272
ethyl 4-(3-methylbutylamino)cinnoline-3-carboxylate
CID 64624176

Frequently Asked Questions

What is the IUPAC name of 4-[2-[methyl(propan-2-yl)amino]ethylamino]cinnoline-3-carboxylic acid?
The IUPAC name of 4-[2-[methyl(propan-2-yl)amino]ethylamino]cinnoline-3-carboxylic acid (CID 64623948) is 4-[2-[methyl(propan-2-yl)amino]ethylamino]cinnoline-3-carboxylic acid.
What is the SMILES notation for 4-[2-[methyl(propan-2-yl)amino]ethylamino]cinnoline-3-carboxylic acid?
The canonical SMILES for 4-[2-[methyl(propan-2-yl)amino]ethylamino]cinnoline-3-carboxylic acid is CC(C)N(C)CCNc1c(C(=O)O)nnc2ccccc12.
What is the InChIKey of 4-[2-[methyl(propan-2-yl)amino]ethylamino]cinnoline-3-carboxylic acid?
The InChIKey is WMHRITPSGSHDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10(2)19(3)9-8-16-13-11-6-4-5-7-12(11)17-18-14(13)15(20)21/h4-7,10H,8-9H2,1-3H3,(H,16,17)(H,20,21).
What are the key properties of 4-[2-[methyl(propan-2-yl)amino]ethylamino]cinnoline-3-carboxylic acid?
4-[2-[methyl(propan-2-yl)amino]ethylamino]cinnoline-3-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[methyl(propan-2-yl)amino]ethylamino]cinnoline-3-carboxylic acid is sourced from PubChem (CID 64623948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).