2-[[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)ethanol

C23H21FN4O3 — CID 155340172

IUPAC2-[[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)ethanol
SMILESCOc1ccc(C(CO)Nc2ncnc3c(OC)cc(-c4ccc(F)cc4)cc23)cn1
InChIInChI=1S/C23H21FN4O3/c1-30-20-10-16(14-3-6-17(24)7-4-14)9-18-22(20)26-13-27-23(18)28-19(12-29)15-5-8-21(31-2)25-11-15/h3-11,13,19,29H,12H2,1-2H3,(H,26,27,28)
InChIKeyDZUBVVJPIILGFP-UHFFFAOYSA-N
MW420.44 g/mol
LogP3.99
Rot. Bonds7

About 2-[[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)ethanol

2-[[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)ethanol (PubChem CID 155340172) has the molecular formula C23H21FN4O3 and a molecular weight of 420.44 g/mol. Its IUPAC name is 2-[[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-[[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)ethanol
PubChem CID155340172
Molecular FormulaC23H21FN4O3
Molecular Weight420.44 g/mol
Exact Mass420.16
IUPAC Name2-[[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)ethanol
SMILESCOc1ccc(C(CO)Nc2ncnc3c(OC)cc(-c4ccc(F)cc4)cc23)cn1
InChIInChI=1S/C23H21FN4O3/c1-30-20-10-16(14-3-6-17(24)7-4-14)9-18-22(20)26-13-27-23(18)28-19(12-29)15-5-8-21(31-2)25-11-15/h3-11,13,19,29H,12H2,1-2H3,(H,26,27,28)
InChIKeyDZUBVVJPIILGFP-UHFFFAOYSA-N
XLogP3.99
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)ethanol with MolForge

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Related Compounds

6-(4-fluorophenyl)-8-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]quinazolin-4-amine
CID 155340253
N-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-6-(4-fluorophenyl)-8-methoxyquinazolin-4-amine
CID 155364757
N-[4-[(Z)-but-2-en-2-yl]imino-2,5-dimethylheptan-3-yl]-6-(4-fluorophenyl)-8-methoxyquinazolin-4-amine
CID 155728403
N-[(5-chloropyrimidin-2-yl)methyl]-6-(4-fluorophenyl)-8-methoxyquinazolin-4-amine
CID 155728512
N',N'-diethyl-N-[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]propane-1,3-diamine
CID 155728509
6-(4-fluorophenyl)-8-methoxy-N-[(1R)-1-[1-oxido-6-(trifluoromethyl)pyridin-1-ium-3-yl]ethyl]quinazolin-4-amine;formic acid
CID 175708641
6-(4-fluorophenyl)-4-[1-(6-methyl-3-pyridinyl)ethylamino]quinazolin-8-ol
CID 155728488
(2E)-3-[[[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]amino]methyl]penta-2,4-dienethial
CID 155364863
(4-fluorophenyl)-(6-methoxy-3-pyridinyl)methanol
CID 58882938
2-(6-methoxy-3-pyridinyl)-2-(propylamino)ethanol
CID 114938137
2-[[6-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanol
CID 155339418
6-(4-fluorophenyl)-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 155728566

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)ethanol?
The IUPAC name of 2-[[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)ethanol (CID 155340172) is 2-[[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)ethanol.
What is the SMILES notation for 2-[[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)ethanol?
The canonical SMILES for 2-[[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)ethanol is COc1ccc(C(CO)Nc2ncnc3c(OC)cc(-c4ccc(F)cc4)cc23)cn1.
What is the InChIKey of 2-[[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)ethanol?
The InChIKey is DZUBVVJPIILGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3/c1-30-20-10-16(14-3-6-17(24)7-4-14)9-18-22(20)26-13-27-23(18)28-19(12-29)15-5-8-21(31-2)25-11-15/h3-11,13,19,29H,12H2,1-2H3,(H,26,27,28).
What are the key properties of 2-[[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)ethanol?
2-[[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)ethanol has a molecular weight of 420.44 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)ethanol is sourced from PubChem (CID 155340172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).