2-[[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-methylamino]ethanol

C24H25N5O3 — CID 53319935

IUPAC2-[[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-methylamino]ethanol
SMILESCOc1ccc2c(c1)CC(c1nc(N(C)CCO)c3cc(-c4cn[nH]c4)ccc3n1)CO2
InChIInChI=1S/C24H25N5O3/c1-29(7-8-30)24-20-11-15(18-12-25-26-13-18)3-5-21(20)27-23(28-24)17-9-16-10-19(31-2)4-6-22(16)32-14-17/h3-6,10-13,17,30H,7-9,14H2,1-2H3,(H,25,26)
InChIKeyGUPQPEYJXDUSJM-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.18
Rot. Bonds6

About 2-[[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-methylamino]ethanol

2-[[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-methylamino]ethanol (PubChem CID 53319935) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 2-[[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-methylamino]ethanol
PubChem CID53319935
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name2-[[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-methylamino]ethanol
SMILESCOc1ccc2c(c1)CC(c1nc(N(C)CCO)c3cc(-c4cn[nH]c4)ccc3n1)CO2
InChIInChI=1S/C24H25N5O3/c1-29(7-8-30)24-20-11-15(18-12-25-26-13-18)3-5-21(20)27-23(28-24)17-9-16-10-19(31-2)4-6-22(16)32-14-17/h3-6,10-13,17,30H,7-9,14H2,1-2H3,(H,25,26)
InChIKeyGUPQPEYJXDUSJM-UHFFFAOYSA-N
XLogP3.18
TPSA96.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-methylamino]ethanol 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 2-[[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-methylamino]ethanol?
The IUPAC name of 2-[[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-methylamino]ethanol (CID 53319935) is 2-[[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-methylamino]ethanol?
The canonical SMILES for 2-[[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-methylamino]ethanol is COc1ccc2c(c1)CC(c1nc(N(C)CCO)c3cc(-c4cn[nH]c4)ccc3n1)CO2.
What is the InChIKey of 2-[[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-methylamino]ethanol?
The InChIKey is GUPQPEYJXDUSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-29(7-8-30)24-20-11-15(18-12-25-26-13-18)3-5-21(20)27-23(28-24)17-9-16-10-19(31-2)4-6-22(16)32-14-17/h3-6,10-13,17,30H,7-9,14H2,1-2H3,(H,25,26).
What are the key properties of 2-[[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-methylamino]ethanol?
2-[[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-methylamino]ethanol has a molecular weight of 431.50 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-methylamino]ethanol is sourced from PubChem (CID 53319935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).