6,7-dimethoxy-2-piperazin-1-yl-4-pyrrolidin-1-ylquinazoline

C18H25N5O2 — CID 137380754

IUPAC6,7-dimethoxy-2-piperazin-1-yl-4-pyrrolidin-1-ylquinazoline
SMILESCOc1cc2nc(N3CCNCC3)nc(N3CCCC3)c2cc1OC
InChIInChI=1S/C18H25N5O2/c1-24-15-11-13-14(12-16(15)25-2)20-18(23-9-5-19-6-10-23)21-17(13)22-7-3-4-8-22/h11-12,19H,3-10H2,1-2H3
InChIKeyOVWCDTNEJISBNH-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.66
Rot. Bonds4

About 6,7-dimethoxy-2-piperazin-1-yl-4-pyrrolidin-1-ylquinazoline

6,7-dimethoxy-2-piperazin-1-yl-4-pyrrolidin-1-ylquinazoline (PubChem CID 137380754) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 6,7-dimethoxy-2-piperazin-1-yl-4-pyrrolidin-1-ylquinazoline.

Molecular Properties

Compound Name6,7-dimethoxy-2-piperazin-1-yl-4-pyrrolidin-1-ylquinazoline
PubChem CID137380754
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name6,7-dimethoxy-2-piperazin-1-yl-4-pyrrolidin-1-ylquinazoline
SMILESCOc1cc2nc(N3CCNCC3)nc(N3CCCC3)c2cc1OC
InChIInChI=1S/C18H25N5O2/c1-24-15-11-13-14(12-16(15)25-2)20-18(23-9-5-19-6-10-23)21-17(13)22-7-3-4-8-22/h11-12,19H,3-10H2,1-2H3
InChIKeyOVWCDTNEJISBNH-UHFFFAOYSA-N
XLogP1.66
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6,7-dimethoxy-2-piperazin-1-yl-4-pyrrolidin-1-ylquinazoline with MolForge

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

Launch Full Analysis

Related Compounds

N-(6,7-dimethoxy-2-piperazin-1-ylquinazolin-4-yl)acetamide
CID 616327
2,4-bis(4,4-difluoropiperidin-1-yl)-6,7-dimethoxyquinazoline
CID 147825530
4-[6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]morpholine
CID 139592902
6,7-dimethoxy-4-piperidin-1-yl-N-piperidin-4-ylquinazolin-2-amine;dihydrochloride
CID 68781324
2-cyclohexyl-6,7-dimethoxy-4-piperidin-1-ylquinazoline
CID 134111359
4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707461
6,7-dimethoxy-2-piperazin-1-ylquinolin-4-amine;hydrochloride
CID 90673657
N-butyl-6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-amine
CID 162652644
1-[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol
CID 163722459
4-(4,6,7-trimethoxyquinazolin-2-yl)morpholine
CID 22082862
2-piperazin-1-yl-4,6-di(piperidin-1-yl)-1,3,5-triazine
CID 655485
6-methoxy-4-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine
CID 177382773

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-piperazin-1-yl-4-pyrrolidin-1-ylquinazoline?
The IUPAC name of 6,7-dimethoxy-2-piperazin-1-yl-4-pyrrolidin-1-ylquinazoline (CID 137380754) is 6,7-dimethoxy-2-piperazin-1-yl-4-pyrrolidin-1-ylquinazoline.
What is the SMILES notation for 6,7-dimethoxy-2-piperazin-1-yl-4-pyrrolidin-1-ylquinazoline?
The canonical SMILES for 6,7-dimethoxy-2-piperazin-1-yl-4-pyrrolidin-1-ylquinazoline is COc1cc2nc(N3CCNCC3)nc(N3CCCC3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-piperazin-1-yl-4-pyrrolidin-1-ylquinazoline?
The InChIKey is OVWCDTNEJISBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-24-15-11-13-14(12-16(15)25-2)20-18(23-9-5-19-6-10-23)21-17(13)22-7-3-4-8-22/h11-12,19H,3-10H2,1-2H3.
What are the key properties of 6,7-dimethoxy-2-piperazin-1-yl-4-pyrrolidin-1-ylquinazoline?
6,7-dimethoxy-2-piperazin-1-yl-4-pyrrolidin-1-ylquinazoline has a molecular weight of 343.43 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-piperazin-1-yl-4-pyrrolidin-1-ylquinazoline is sourced from PubChem (CID 137380754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).