2-butyl-[1,3]oxazolo[4,5-c]quinolin-4-amine

C14H15N3O — CID 10421816

IUPAC2-butyl-[1,3]oxazolo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(N)nc3ccccc3c2o1
InChIInChI=1S/C14H15N3O/c1-2-3-8-11-17-12-13(18-11)9-6-4-5-7-10(9)16-14(12)15/h4-7H,2-3,8H2,1H3,(H2,15,16)
InChIKeyXGNXMXDDPAAWFU-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.30
Rot. Bonds3

About 2-butyl-[1,3]oxazolo[4,5-c]quinolin-4-amine

2-butyl-[1,3]oxazolo[4,5-c]quinolin-4-amine (PubChem CID 10421816) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-butyl-[1,3]oxazolo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-butyl-[1,3]oxazolo[4,5-c]quinolin-4-amine
PubChem CID10421816
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-butyl-[1,3]oxazolo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(N)nc3ccccc3c2o1
InChIInChI=1S/C14H15N3O/c1-2-3-8-11-17-12-13(18-11)9-6-4-5-7-10(9)16-14(12)15/h4-7H,2-3,8H2,1H3,(H2,15,16)
InChIKeyXGNXMXDDPAAWFU-UHFFFAOYSA-N
XLogP3.30
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-butyl-[1,3]oxazolo[4,5-c]quinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-butyl-[1,3]oxazolo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-butyl-[1,3]oxazolo[4,5-c]quinolin-4-amine (CID 10421816) is 2-butyl-[1,3]oxazolo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-butyl-[1,3]oxazolo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-butyl-[1,3]oxazolo[4,5-c]quinolin-4-amine is CCCCc1nc2c(N)nc3ccccc3c2o1.
What is the InChIKey of 2-butyl-[1,3]oxazolo[4,5-c]quinolin-4-amine?
The InChIKey is XGNXMXDDPAAWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-2-3-8-11-17-12-13(18-11)9-6-4-5-7-10(9)16-14(12)15/h4-7H,2-3,8H2,1H3,(H2,15,16).
What are the key properties of 2-butyl-[1,3]oxazolo[4,5-c]quinolin-4-amine?
2-butyl-[1,3]oxazolo[4,5-c]quinolin-4-amine has a molecular weight of 241.29 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-[1,3]oxazolo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 10421816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).