2-(cinnolin-4-ylamino)-2-cyclohexylacetic acid

C16H19N3O2 — CID 63586197

IUPAC2-(cinnolin-4-ylamino)-2-cyclohexylacetic acid
SMILESO=C(O)C(Nc1cnnc2ccccc12)C1CCCCC1
InChIInChI=1S/C16H19N3O2/c20-16(21)15(11-6-2-1-3-7-11)18-14-10-17-19-13-9-5-4-8-12(13)14/h4-5,8-11,15H,1-3,6-7H2,(H,18,19)(H,20,21)
InChIKeyPXNSFEVHPMXFDT-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.08
Rot. Bonds4

About 2-(cinnolin-4-ylamino)-2-cyclohexylacetic acid

2-(cinnolin-4-ylamino)-2-cyclohexylacetic acid (PubChem CID 63586197) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-(cinnolin-4-ylamino)-2-cyclohexylacetic acid.

Molecular Properties

Compound Name2-(cinnolin-4-ylamino)-2-cyclohexylacetic acid
PubChem CID63586197
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-(cinnolin-4-ylamino)-2-cyclohexylacetic acid
SMILESO=C(O)C(Nc1cnnc2ccccc12)C1CCCCC1
InChIInChI=1S/C16H19N3O2/c20-16(21)15(11-6-2-1-3-7-11)18-14-10-17-19-13-9-5-4-8-12(13)14/h4-5,8-11,15H,1-3,6-7H2,(H,18,19)(H,20,21)
InChIKeyPXNSFEVHPMXFDT-UHFFFAOYSA-N
XLogP3.08
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(cinnolin-4-ylamino)-2-cyclohexylacetic 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

N-cinnolin-4-yl-1-cyclopentylethane-1,2-diamine
CID 106738352
2-(cinnolin-4-ylamino)-3-methylbutanoic acid
CID 63587102
2-cyclopropyl-2-[(2-methylquinolin-4-yl)amino]acetic acid
CID 55107861
2-cyclohexyl-2-(quinazolin-2-ylamino)acetic acid
CID 114788534
N-propan-2-ylcinnolin-4-amine
CID 39733520
2-cyclohexyl-2-[2-(trifluoromethyl)anilino]acetic acid
CID 62315278
2-cyclohexyl-2-(2-methoxyanilino)acetic acid
CID 54890828
2-(cinnolin-4-ylamino)-1-cyclopropylethanol
CID 63586399
methyl 3-(cinnolin-4-ylamino)butanoate
CID 114283867
2-(3-bromo-2-carbamoylanilino)-2-cyclohexylacetic acid
CID 114880085
2-cyclohexyl-2-(2-methylanilino)acetamide
CID 54892248
4-(cinnolin-4-ylamino)-2-methylbutanoic acid
CID 80539553

Frequently Asked Questions

What is the IUPAC name of 2-(cinnolin-4-ylamino)-2-cyclohexylacetic acid?
The IUPAC name of 2-(cinnolin-4-ylamino)-2-cyclohexylacetic acid (CID 63586197) is 2-(cinnolin-4-ylamino)-2-cyclohexylacetic acid.
What is the SMILES notation for 2-(cinnolin-4-ylamino)-2-cyclohexylacetic acid?
The canonical SMILES for 2-(cinnolin-4-ylamino)-2-cyclohexylacetic acid is O=C(O)C(Nc1cnnc2ccccc12)C1CCCCC1.
What is the InChIKey of 2-(cinnolin-4-ylamino)-2-cyclohexylacetic acid?
The InChIKey is PXNSFEVHPMXFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-16(21)15(11-6-2-1-3-7-11)18-14-10-17-19-13-9-5-4-8-12(13)14/h4-5,8-11,15H,1-3,6-7H2,(H,18,19)(H,20,21).
What are the key properties of 2-(cinnolin-4-ylamino)-2-cyclohexylacetic acid?
2-(cinnolin-4-ylamino)-2-cyclohexylacetic acid has a molecular weight of 285.35 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cinnolin-4-ylamino)-2-cyclohexylacetic acid is sourced from PubChem (CID 63586197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).