[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(4-chlorophenyl)methanone

C21H22ClN5O3 — CID 11442640

IUPAC[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(4-chlorophenyl)methanone
SMILESCOc1cc2nc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)nc(N)c2cc1OC
InChIInChI=1S/C21H22ClN5O3/c1-29-17-11-15-16(12-18(17)30-2)24-21(25-19(15)23)27-9-7-26(8-10-27)20(28)13-3-5-14(22)6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H2,23,24,25)
InChIKeyBFNSEIRNBRGZCZ-UHFFFAOYSA-N
MW427.89 g/mol
LogP2.85
Rot. Bonds4

About [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(4-chlorophenyl)methanone

[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(4-chlorophenyl)methanone (PubChem CID 11442640) has the molecular formula C21H22ClN5O3 and a molecular weight of 427.89 g/mol. Its IUPAC name is [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(4-chlorophenyl)methanone
PubChem CID11442640
Molecular FormulaC21H22ClN5O3
Molecular Weight427.89 g/mol
Exact Mass427.14
IUPAC Name[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(4-chlorophenyl)methanone
SMILESCOc1cc2nc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)nc(N)c2cc1OC
InChIInChI=1S/C21H22ClN5O3/c1-29-17-11-15-16(12-18(17)30-2)24-21(25-19(15)23)27-9-7-26(8-10-27)20(28)13-3-5-14(22)6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H2,23,24,25)
InChIKeyBFNSEIRNBRGZCZ-UHFFFAOYSA-N
XLogP2.85
TPSA93.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.89
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(4-chlorophenyl)methanone 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 [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(4-chlorophenyl)methanone?
The IUPAC name of [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(4-chlorophenyl)methanone (CID 11442640) is [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(4-chlorophenyl)methanone?
The canonical SMILES for [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(4-chlorophenyl)methanone is COc1cc2nc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)nc(N)c2cc1OC.
What is the InChIKey of [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(4-chlorophenyl)methanone?
The InChIKey is BFNSEIRNBRGZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O3/c1-29-17-11-15-16(12-18(17)30-2)24-21(25-19(15)23)27-9-7-26(8-10-27)20(28)13-3-5-14(22)6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H2,23,24,25).
What are the key properties of [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(4-chlorophenyl)methanone?
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(4-chlorophenyl)methanone has a molecular weight of 427.89 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 11442640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).