N',N'-dimethyl-N-(4-piperidin-1-ylquinazolin-2-yl)ethane-1,2-diamine

C17H25N5 — CID 66903519

IUPACN',N'-dimethyl-N-(4-piperidin-1-ylquinazolin-2-yl)ethane-1,2-diamine
SMILESCN(C)CCNc1nc(N2CCCCC2)c2ccccc2n1
InChIInChI=1S/C17H25N5/c1-21(2)13-10-18-17-19-15-9-5-4-8-14(15)16(20-17)22-11-6-3-7-12-22/h4-5,8-9H,3,6-7,10-13H2,1-2H3,(H,18,19,20)
InChIKeyGLRUJENCUJTVTO-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.59
Rot. Bonds5

About N',N'-dimethyl-N-(4-piperidin-1-ylquinazolin-2-yl)ethane-1,2-diamine

N',N'-dimethyl-N-(4-piperidin-1-ylquinazolin-2-yl)ethane-1,2-diamine (PubChem CID 66903519) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is N',N'-dimethyl-N-(4-piperidin-1-ylquinazolin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(4-piperidin-1-ylquinazolin-2-yl)ethane-1,2-diamine
PubChem CID66903519
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC NameN',N'-dimethyl-N-(4-piperidin-1-ylquinazolin-2-yl)ethane-1,2-diamine
SMILESCN(C)CCNc1nc(N2CCCCC2)c2ccccc2n1
InChIInChI=1S/C17H25N5/c1-21(2)13-10-18-17-19-15-9-5-4-8-14(15)16(20-17)22-11-6-3-7-12-22/h4-5,8-9H,3,6-7,10-13H2,1-2H3,(H,18,19,20)
InChIKeyGLRUJENCUJTVTO-UHFFFAOYSA-N
XLogP2.59
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N',N'-dimethyl-N-(4-piperidin-1-ylquinazolin-2-yl)ethane-1,2-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',N'-dimethyl-N-(4-piperidin-1-ylquinazolin-2-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(4-piperidin-1-ylquinazolin-2-yl)ethane-1,2-diamine (CID 66903519) is N',N'-dimethyl-N-(4-piperidin-1-ylquinazolin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(4-piperidin-1-ylquinazolin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(4-piperidin-1-ylquinazolin-2-yl)ethane-1,2-diamine is CN(C)CCNc1nc(N2CCCCC2)c2ccccc2n1.
What is the InChIKey of N',N'-dimethyl-N-(4-piperidin-1-ylquinazolin-2-yl)ethane-1,2-diamine?
The InChIKey is GLRUJENCUJTVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-21(2)13-10-18-17-19-15-9-5-4-8-14(15)16(20-17)22-11-6-3-7-12-22/h4-5,8-9H,3,6-7,10-13H2,1-2H3,(H,18,19,20).
What are the key properties of N',N'-dimethyl-N-(4-piperidin-1-ylquinazolin-2-yl)ethane-1,2-diamine?
N',N'-dimethyl-N-(4-piperidin-1-ylquinazolin-2-yl)ethane-1,2-diamine has a molecular weight of 299.42 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(4-piperidin-1-ylquinazolin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 66903519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).