6,7-dimethoxy-4-piperidin-1-yl-N-piperidin-4-ylquinazolin-2-amine;dihydrochloride

C20H31Cl2N5O2 — CID 68781324

IUPAC6,7-dimethoxy-4-piperidin-1-yl-N-piperidin-4-ylquinazolin-2-amine;dihydrochloride
SMILESCOc1cc2nc(NC3CCNCC3)nc(N3CCCCC3)c2cc1OC.Cl.Cl
InChIInChI=1S/C20H29N5O2.2ClH/c1-26-17-12-15-16(13-18(17)27-2)23-20(22-14-6-8-21-9-7-14)24-19(15)25-10-4-3-5-11-25;;/h12-14,21H,3-11H2,1-2H3,(H,22,23,24);2*1H
InChIKeyZIXYYMTVJKUXID-UHFFFAOYSA-N
MW444.41 g/mol
LogP3.64
Rot. Bonds5

About 6,7-dimethoxy-4-piperidin-1-yl-N-piperidin-4-ylquinazolin-2-amine;dihydrochloride

6,7-dimethoxy-4-piperidin-1-yl-N-piperidin-4-ylquinazolin-2-amine;dihydrochloride (PubChem CID 68781324) has the molecular formula C20H31Cl2N5O2 and a molecular weight of 444.41 g/mol. Its IUPAC name is 6,7-dimethoxy-4-piperidin-1-yl-N-piperidin-4-ylquinazolin-2-amine;dihydrochloride.

Molecular Properties

Compound Name6,7-dimethoxy-4-piperidin-1-yl-N-piperidin-4-ylquinazolin-2-amine;dihydrochloride
PubChem CID68781324
Molecular FormulaC20H31Cl2N5O2
Molecular Weight444.41 g/mol
Exact Mass443.19
IUPAC Name6,7-dimethoxy-4-piperidin-1-yl-N-piperidin-4-ylquinazolin-2-amine;dihydrochloride
SMILESCOc1cc2nc(NC3CCNCC3)nc(N3CCCCC3)c2cc1OC.Cl.Cl
InChIInChI=1S/C20H29N5O2.2ClH/c1-26-17-12-15-16(13-18(17)27-2)23-20(22-14-6-8-21-9-7-14)24-19(15)25-10-4-3-5-11-25;;/h12-14,21H,3-11H2,1-2H3,(H,22,23,24);2*1H
InChIKeyZIXYYMTVJKUXID-UHFFFAOYSA-N
XLogP3.64
TPSA71.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.41
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6,7-dimethoxy-4-piperidin-1-yl-N-piperidin-4-ylquinazolin-2-amine;dihydrochloride 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 6,7-dimethoxy-4-piperidin-1-yl-N-piperidin-4-ylquinazolin-2-amine;dihydrochloride?
The IUPAC name of 6,7-dimethoxy-4-piperidin-1-yl-N-piperidin-4-ylquinazolin-2-amine;dihydrochloride (CID 68781324) is 6,7-dimethoxy-4-piperidin-1-yl-N-piperidin-4-ylquinazolin-2-amine;dihydrochloride.
What is the SMILES notation for 6,7-dimethoxy-4-piperidin-1-yl-N-piperidin-4-ylquinazolin-2-amine;dihydrochloride?
The canonical SMILES for 6,7-dimethoxy-4-piperidin-1-yl-N-piperidin-4-ylquinazolin-2-amine;dihydrochloride is COc1cc2nc(NC3CCNCC3)nc(N3CCCCC3)c2cc1OC.Cl.Cl.
What is the InChIKey of 6,7-dimethoxy-4-piperidin-1-yl-N-piperidin-4-ylquinazolin-2-amine;dihydrochloride?
The InChIKey is ZIXYYMTVJKUXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2.2ClH/c1-26-17-12-15-16(13-18(17)27-2)23-20(22-14-6-8-21-9-7-14)24-19(15)25-10-4-3-5-11-25;;/h12-14,21H,3-11H2,1-2H3,(H,22,23,24);2*1H.
What are the key properties of 6,7-dimethoxy-4-piperidin-1-yl-N-piperidin-4-ylquinazolin-2-amine;dihydrochloride?
6,7-dimethoxy-4-piperidin-1-yl-N-piperidin-4-ylquinazolin-2-amine;dihydrochloride has a molecular weight of 444.41 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-piperidin-1-yl-N-piperidin-4-ylquinazolin-2-amine;dihydrochloride is sourced from PubChem (CID 68781324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).