6-bromo-3-ethyl-N-propan-2-ylcinnolin-4-amine;formic acid

C14H18BrN3O2 — CID 175032908

IUPAC6-bromo-3-ethyl-N-propan-2-ylcinnolin-4-amine;formic acid
SMILESCCc1nnc2ccc(Br)cc2c1NC(C)C.O=CO
InChIInChI=1S/C13H16BrN3.CH2O2/c1-4-11-13(15-8(2)3)10-7-9(14)5-6-12(10)17-16-11;2-1-3/h5-8H,4H2,1-3H3,(H,15,17);1H,(H,2,3)
InChIKeyIDVKIIHBCHYTDR-UHFFFAOYSA-N
MW340.22 g/mol
LogP3.48
Rot. Bonds3

About 6-bromo-3-ethyl-N-propan-2-ylcinnolin-4-amine;formic acid

6-bromo-3-ethyl-N-propan-2-ylcinnolin-4-amine;formic acid (PubChem CID 175032908) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 6-bromo-3-ethyl-N-propan-2-ylcinnolin-4-amine;formic acid.

Molecular Properties

Compound Name6-bromo-3-ethyl-N-propan-2-ylcinnolin-4-amine;formic acid
PubChem CID175032908
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name6-bromo-3-ethyl-N-propan-2-ylcinnolin-4-amine;formic acid
SMILESCCc1nnc2ccc(Br)cc2c1NC(C)C.O=CO
InChIInChI=1S/C13H16BrN3.CH2O2/c1-4-11-13(15-8(2)3)10-7-9(14)5-6-12(10)17-16-11;2-1-3/h5-8H,4H2,1-3H3,(H,15,17);1H,(H,2,3)
InChIKeyIDVKIIHBCHYTDR-UHFFFAOYSA-N
XLogP3.48
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 6-bromo-3-ethyl-N-propan-2-ylcinnolin-4-amine;formic 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

6-bromo-4-(propan-2-ylamino)cinnoline-3-carboxylic acid
CID 138490804
6-bromo-N-propan-2-ylquinolin-4-amine
CID 150956944
6-bromo-2-chloro-N-propan-2-ylquinazolin-4-amine
CID 114692800
6-bromo-4-fluorocinnoline-3-carbaldehyde
CID 168823478
6-bromo-2-ethyl-4-(oxan-4-ylamino)quinoline-3-carboxylic acid
CID 142745252
3-(4-bromo-2-ethylanilino)butan-2-ol
CID 81292425
2-[(3-amino-6-bromoquinolin-4-yl)amino]butan-1-ol
CID 43621318
6-bromo-2-(3,3-dimethylbutan-2-ylamino)-3H-quinazolin-4-one
CID 135439543
ethyl 6-bromo-4-[[(2S)-2-hydroxypropyl]amino]quinoline-3-carboxylate
CID 992369
2-[(6-bromoquinazolin-4-yl)amino]butanoic acid
CID 2787397
6-bromo-4-N-(1-cyclopropylpropan-2-yl)quinoline-3,4-diamine
CID 63988688
2-[(6-bromo-3-nitroquinolin-4-yl)amino]propanoic acid
CID 43621517

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-ethyl-N-propan-2-ylcinnolin-4-amine;formic acid?
The IUPAC name of 6-bromo-3-ethyl-N-propan-2-ylcinnolin-4-amine;formic acid (CID 175032908) is 6-bromo-3-ethyl-N-propan-2-ylcinnolin-4-amine;formic acid.
What is the SMILES notation for 6-bromo-3-ethyl-N-propan-2-ylcinnolin-4-amine;formic acid?
The canonical SMILES for 6-bromo-3-ethyl-N-propan-2-ylcinnolin-4-amine;formic acid is CCc1nnc2ccc(Br)cc2c1NC(C)C.O=CO.
What is the InChIKey of 6-bromo-3-ethyl-N-propan-2-ylcinnolin-4-amine;formic acid?
The InChIKey is IDVKIIHBCHYTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3.CH2O2/c1-4-11-13(15-8(2)3)10-7-9(14)5-6-12(10)17-16-11;2-1-3/h5-8H,4H2,1-3H3,(H,15,17);1H,(H,2,3).
What are the key properties of 6-bromo-3-ethyl-N-propan-2-ylcinnolin-4-amine;formic acid?
6-bromo-3-ethyl-N-propan-2-ylcinnolin-4-amine;formic acid has a molecular weight of 340.22 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-ethyl-N-propan-2-ylcinnolin-4-amine;formic acid is sourced from PubChem (CID 175032908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).