N'-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-8-methoxy-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine

C26H30N6O3 — CID 70889578

IUPACN'-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-8-methoxy-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCOc1cc(-c2cn[nH]c2)cc2c(N(C)CCCN(C)C)nc(C3COc4ccccc4O3)nc12
InChIInChI=1S/C26H30N6O3/c1-31(2)10-7-11-32(3)26-19-12-17(18-14-27-28-15-18)13-22(33-4)24(19)29-25(30-26)23-16-34-20-8-5-6-9-21(20)35-23/h5-6,8-9,12-15,23H,7,10-11,16H2,1-4H3,(H,27,28)
InChIKeyJJWKEXLEZXQFFT-UHFFFAOYSA-N
MW474.57 g/mol
LogP3.93
Rot. Bonds8

About N'-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-8-methoxy-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-8-methoxy-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 70889578) has the molecular formula C26H30N6O3 and a molecular weight of 474.57 g/mol. Its IUPAC name is N'-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-8-methoxy-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-8-methoxy-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID70889578
Molecular FormulaC26H30N6O3
Molecular Weight474.57 g/mol
Exact Mass474.24
IUPAC NameN'-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-8-methoxy-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCOc1cc(-c2cn[nH]c2)cc2c(N(C)CCCN(C)C)nc(C3COc4ccccc4O3)nc12
InChIInChI=1S/C26H30N6O3/c1-31(2)10-7-11-32(3)26-19-12-17(18-14-27-28-15-18)13-22(33-4)24(19)29-25(30-26)23-16-34-20-8-5-6-9-21(20)35-23/h5-6,8-9,12-15,23H,7,10-11,16H2,1-4H3,(H,27,28)
InChIKeyJJWKEXLEZXQFFT-UHFFFAOYSA-N
XLogP3.93
TPSA88.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N'-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-8-methoxy-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine with MolForge

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 117075243
2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-6-(1H-pyrazol-4-yl)-1H-benzimidazole
CID 58164303
3-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-ethyl-1H-1,2,4-triazole
CID 61277728
2-[7-[2-(dimethylamino)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-8-methoxy-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
CID 135894308
N-[2-[2-(dimethylamino)ethyl-methylamino]oxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 58310681
(3S)-N-[2-fluoro-5-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 67237309
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-8-methoxy-N-methylquinazolin-4-amine
CID 154851439
[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,6-dimethylpyrimidin-5-yl]methanamine
CID 65351595
2-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)quinazolin-4-yl]sulfanyl-N,N-dimethylethanamine
CID 53325184
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 43964079
2-[(1S)-1-amino-2-(3-methoxyphenyl)ethyl]-8-methoxy-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
CID 135894316
3-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[2-(2H-triazol-4-yl)ethyl]-1,2,4-oxadiazole
CID 138013571

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-8-methoxy-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-8-methoxy-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine (CID 70889578) is N'-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-8-methoxy-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-8-methoxy-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-8-methoxy-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine is COc1cc(-c2cn[nH]c2)cc2c(N(C)CCCN(C)C)nc(C3COc4ccccc4O3)nc12.
What is the InChIKey of N'-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-8-methoxy-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is JJWKEXLEZXQFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O3/c1-31(2)10-7-11-32(3)26-19-12-17(18-14-27-28-15-18)13-22(33-4)24(19)29-25(30-26)23-16-34-20-8-5-6-9-21(20)35-23/h5-6,8-9,12-15,23H,7,10-11,16H2,1-4H3,(H,27,28).
What are the key properties of N'-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-8-methoxy-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-8-methoxy-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 474.57 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-8-methoxy-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 70889578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).