6-(1,3-benzodioxol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine

C26H22N4O3 — CID 3233257

IUPAC6-(1,3-benzodioxol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine
SMILESCOc1ccc2[nH]cc(CCNc3ncnc4ccc(-c5ccc6c(c5)OCO6)cc34)c2c1
InChIInChI=1S/C26H22N4O3/c1-31-19-4-6-22-20(12-19)18(13-28-22)8-9-27-26-21-10-16(2-5-23(21)29-14-30-26)17-3-7-24-25(11-17)33-15-32-24/h2-7,10-14,28H,8-9,15H2,1H3,(H,27,29,30)
InChIKeyAEAHYOFRSUJAJS-UHFFFAOYSA-N
MW438.49 g/mol
LogP5.17
Rot. Bonds6

About 6-(1,3-benzodioxol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine

6-(1,3-benzodioxol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine (PubChem CID 3233257) has the molecular formula C26H22N4O3 and a molecular weight of 438.49 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine
PubChem CID3233257
Molecular FormulaC26H22N4O3
Molecular Weight438.49 g/mol
Exact Mass438.17
IUPAC Name6-(1,3-benzodioxol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine
SMILESCOc1ccc2[nH]cc(CCNc3ncnc4ccc(-c5ccc6c(c5)OCO6)cc34)c2c1
InChIInChI=1S/C26H22N4O3/c1-31-19-4-6-22-20(12-19)18(13-28-22)8-9-27-26-21-10-16(2-5-23(21)29-14-30-26)17-3-7-24-25(11-17)33-15-32-24/h2-7,10-14,28H,8-9,15H2,1H3,(H,27,29,30)
InChIKeyAEAHYOFRSUJAJS-UHFFFAOYSA-N
XLogP5.17
TPSA81.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.49
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(1,3-benzodioxol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine 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

Retelliptine
CID 68913
10,11-Dimethoxy-4-methyldibenzo[c,f]-2,7-naphthyridine-3,6-diamine
CID 17754396
6H-Pyrido(4,3-b)carbazole, 1-((3-aminopropyl)amino)-9-methoxy-5-methyl-, dihydrate
CID 135594
6H-Pyrido(4,3-b)carbazole, 1-((3-(4-aminopropyl-1-piperazinyl)propyl)amino)-9-methoxy-5-methyl-
CID 135608
1,3-Propanediamine, N,N-diethyl-N'-(9-methoxy-5-methyl-6H-pyrido(4,3-b)carbazol-1-yl)-
CID 149478
6H-Pyrido(4,3-b)carbazole, 5,11-dimethyl-1-((3-(dimethylamino)propyl)amino)-9-methoxy-, ethanol
CID 153726
1,3-Propanediamine, N-ethyl-N'-(9-methoxy-5-methyl-6H-pyrido(4,3-b)carbazol-1-yl)-
CID 3068868
1,3-Propanediamine, N'-(5,11-dimethyl-9-methoxy-6H-pyrido(4,3-b)carbazol-1-yl)-N-ethyl-
CID 3068869
4-(5-Bromoindole-3-yl)-6,7-dimethoxyquinazoline
CID 11696664
5-[5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-indole
CID 46236221
6-(benzo[d][1,3]dioxol-5-yl)-N-neopentylquinazolin-4-amine
CID 46916176
Benzo[1,3]dioxol-5-ylmethyl-quinazolin-4-yl-amine
CID 10356247

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine?
The IUPAC name of 6-(1,3-benzodioxol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine (CID 3233257) is 6-(1,3-benzodioxol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 6-(1,3-benzodioxol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine?
The canonical SMILES for 6-(1,3-benzodioxol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine is COc1ccc2[nH]cc(CCNc3ncnc4ccc(-c5ccc6c(c5)OCO6)cc34)c2c1.
What is the InChIKey of 6-(1,3-benzodioxol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine?
The InChIKey is AEAHYOFRSUJAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O3/c1-31-19-4-6-22-20(12-19)18(13-28-22)8-9-27-26-21-10-16(2-5-23(21)29-14-30-26)17-3-7-24-25(11-17)33-15-32-24/h2-7,10-14,28H,8-9,15H2,1H3,(H,27,29,30).
What are the key properties of 6-(1,3-benzodioxol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine?
6-(1,3-benzodioxol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine has a molecular weight of 438.49 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 3233257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).