1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone

C24H26N6O3 — CID 45269537

IUPAC1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESCOc1cc2nc(N3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)nc(N)c2cc1OC
InChIInChI=1S/C24H26N6O3/c1-32-20-12-17-19(13-21(20)33-2)27-24(28-23(17)25)30-9-7-29(8-10-30)22(31)11-15-14-26-18-6-4-3-5-16(15)18/h3-6,12-14,26H,7-11H2,1-2H3,(H2,25,27,28)
InChIKeyMCTCPEGIVXCTFR-UHFFFAOYSA-N
MW446.51 g/mol
LogP2.60
Rot. Bonds5

About 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone

1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone (PubChem CID 45269537) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
PubChem CID45269537
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC Name1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESCOc1cc2nc(N3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)nc(N)c2cc1OC
InChIInChI=1S/C24H26N6O3/c1-32-20-12-17-19(13-21(20)33-2)27-24(28-23(17)25)30-9-7-29(8-10-30)22(31)11-15-14-26-18-6-4-3-5-16(15)18/h3-6,12-14,26H,7-11H2,1-2H3,(H2,25,27,28)
InChIKeyMCTCPEGIVXCTFR-UHFFFAOYSA-N
XLogP2.60
TPSA109.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone 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 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
The IUPAC name of 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone (CID 45269537) is 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone is COc1cc2nc(N3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)nc(N)c2cc1OC.
What is the InChIKey of 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
The InChIKey is MCTCPEGIVXCTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-32-20-12-17-19(13-21(20)33-2)27-24(28-23(17)25)30-9-7-29(8-10-30)22(31)11-15-14-26-18-6-4-3-5-16(15)18/h3-6,12-14,26H,7-11H2,1-2H3,(H2,25,27,28).
What are the key properties of 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone has a molecular weight of 446.51 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 45269537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).