N'-propyl-N'-quinazolin-2-ylpropane-1,3-diamine

C14H20N4 — CID 114788667

IUPACN'-propyl-N'-quinazolin-2-ylpropane-1,3-diamine
SMILESCCCN(CCCN)c1ncc2ccccc2n1
InChIInChI=1S/C14H20N4/c1-2-9-18(10-5-8-15)14-16-11-12-6-3-4-7-13(12)17-14/h3-4,6-7,11H,2,5,8-10,15H2,1H3
InChIKeyQVRUQUBYRXAFJT-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.19
Rot. Bonds6

About N'-propyl-N'-quinazolin-2-ylpropane-1,3-diamine

N'-propyl-N'-quinazolin-2-ylpropane-1,3-diamine (PubChem CID 114788667) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N'-propyl-N'-quinazolin-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-propyl-N'-quinazolin-2-ylpropane-1,3-diamine
PubChem CID114788667
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN'-propyl-N'-quinazolin-2-ylpropane-1,3-diamine
SMILESCCCN(CCCN)c1ncc2ccccc2n1
InChIInChI=1S/C14H20N4/c1-2-9-18(10-5-8-15)14-16-11-12-6-3-4-7-13(12)17-14/h3-4,6-7,11H,2,5,8-10,15H2,1H3
InChIKeyQVRUQUBYRXAFJT-UHFFFAOYSA-N
XLogP2.19
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-propyl-N'-quinazolin-2-ylpropane-1,3-diamine 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'-propyl-N'-quinazolin-2-ylpropane-1,3-diamine?
The IUPAC name of N'-propyl-N'-quinazolin-2-ylpropane-1,3-diamine (CID 114788667) is N'-propyl-N'-quinazolin-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-propyl-N'-quinazolin-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-propyl-N'-quinazolin-2-ylpropane-1,3-diamine is CCCN(CCCN)c1ncc2ccccc2n1.
What is the InChIKey of N'-propyl-N'-quinazolin-2-ylpropane-1,3-diamine?
The InChIKey is QVRUQUBYRXAFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-2-9-18(10-5-8-15)14-16-11-12-6-3-4-7-13(12)17-14/h3-4,6-7,11H,2,5,8-10,15H2,1H3.
What are the key properties of N'-propyl-N'-quinazolin-2-ylpropane-1,3-diamine?
N'-propyl-N'-quinazolin-2-ylpropane-1,3-diamine has a molecular weight of 244.34 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propyl-N'-quinazolin-2-ylpropane-1,3-diamine is sourced from PubChem (CID 114788667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).