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

C26H30N6O2 — CID 53318621

IUPACN'-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCOc1ccc2c(c1)CC(c1nc(N(C)CCN(C)C)c3cc(-c4cn[nH]c4)ccc3n1)CO2
InChIInChI=1S/C26H30N6O2/c1-31(2)9-10-32(3)26-22-13-17(20-14-27-28-15-20)5-7-23(22)29-25(30-26)19-11-18-12-21(33-4)6-8-24(18)34-16-19/h5-8,12-15,19H,9-11,16H2,1-4H3,(H,27,28)
InChIKeyMGIFMDYPBYQWCY-UHFFFAOYSA-N
MW458.57 g/mol
LogP3.74
Rot. Bonds7

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

N'-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 53318621) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is N'-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID53318621
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC NameN'-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCOc1ccc2c(c1)CC(c1nc(N(C)CCN(C)C)c3cc(-c4cn[nH]c4)ccc3n1)CO2
InChIInChI=1S/C26H30N6O2/c1-31(2)9-10-32(3)26-22-13-17(20-14-27-28-15-20)5-7-23(22)29-25(30-26)19-11-18-12-21(33-4)6-8-24(18)34-16-19/h5-8,12-15,19H,9-11,16H2,1-4H3,(H,27,28)
InChIKeyMGIFMDYPBYQWCY-UHFFFAOYSA-N
XLogP3.74
TPSA79.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine (CID 53318621) is N'-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine is COc1ccc2c(c1)CC(c1nc(N(C)CCN(C)C)c3cc(-c4cn[nH]c4)ccc3n1)CO2.
What is the InChIKey of N'-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is MGIFMDYPBYQWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-31(2)9-10-32(3)26-22-13-17(20-14-27-28-15-20)5-7-23(22)29-25(30-26)19-11-18-12-21(33-4)6-8-24(18)34-16-19/h5-8,12-15,19H,9-11,16H2,1-4H3,(H,27,28).
What are the key properties of N'-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 458.57 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 53318621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).