N-(3-bromopropyl)-N-propan-2-ylquinazolin-4-amine

C14H18BrN3 — CID 80674456

IUPACN-(3-bromopropyl)-N-propan-2-ylquinazolin-4-amine
SMILESCC(C)N(CCCBr)c1ncnc2ccccc12
InChIInChI=1S/C14H18BrN3/c1-11(2)18(9-5-8-15)14-12-6-3-4-7-13(12)16-10-17-14/h3-4,6-7,10-11H,5,8-9H2,1-2H3
InChIKeyKKKKLFXEGNIEKE-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.63
Rot. Bonds5

About N-(3-bromopropyl)-N-propan-2-ylquinazolin-4-amine

N-(3-bromopropyl)-N-propan-2-ylquinazolin-4-amine (PubChem CID 80674456) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-propan-2-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-propan-2-ylquinazolin-4-amine
PubChem CID80674456
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC NameN-(3-bromopropyl)-N-propan-2-ylquinazolin-4-amine
SMILESCC(C)N(CCCBr)c1ncnc2ccccc12
InChIInChI=1S/C14H18BrN3/c1-11(2)18(9-5-8-15)14-12-6-3-4-7-13(12)16-10-17-14/h3-4,6-7,10-11H,5,8-9H2,1-2H3
InChIKeyKKKKLFXEGNIEKE-UHFFFAOYSA-N
XLogP3.63
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-bromopropyl)-N-propan-2-ylquinazolin-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 N-(3-bromopropyl)-N-propan-2-ylquinazolin-4-amine?
The IUPAC name of N-(3-bromopropyl)-N-propan-2-ylquinazolin-4-amine (CID 80674456) is N-(3-bromopropyl)-N-propan-2-ylquinazolin-4-amine.
What is the SMILES notation for N-(3-bromopropyl)-N-propan-2-ylquinazolin-4-amine?
The canonical SMILES for N-(3-bromopropyl)-N-propan-2-ylquinazolin-4-amine is CC(C)N(CCCBr)c1ncnc2ccccc12.
What is the InChIKey of N-(3-bromopropyl)-N-propan-2-ylquinazolin-4-amine?
The InChIKey is KKKKLFXEGNIEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-11(2)18(9-5-8-15)14-12-6-3-4-7-13(12)16-10-17-14/h3-4,6-7,10-11H,5,8-9H2,1-2H3.
What are the key properties of N-(3-bromopropyl)-N-propan-2-ylquinazolin-4-amine?
N-(3-bromopropyl)-N-propan-2-ylquinazolin-4-amine has a molecular weight of 308.22 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-propan-2-ylquinazolin-4-amine is sourced from PubChem (CID 80674456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).