6-(4-fluorophenyl)-8-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]quinazolin-4-amine

C22H19FN4O2 — CID 155340253

IUPAC6-(4-fluorophenyl)-8-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]quinazolin-4-amine
SMILESCOc1ccc(CNc2ncnc3c(OC)cc(-c4ccc(F)cc4)cc23)cn1
InChIInChI=1S/C22H19FN4O2/c1-28-19-10-16(15-4-6-17(23)7-5-15)9-18-21(19)26-13-27-22(18)25-12-14-3-8-20(29-2)24-11-14/h3-11,13H,12H2,1-2H3,(H,25,26,27)
InChIKeyYACILLGWPQKPBR-UHFFFAOYSA-N
MW390.42 g/mol
LogP4.46
Rot. Bonds6

About 6-(4-fluorophenyl)-8-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]quinazolin-4-amine

6-(4-fluorophenyl)-8-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]quinazolin-4-amine (PubChem CID 155340253) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-8-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-8-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]quinazolin-4-amine
PubChem CID155340253
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC Name6-(4-fluorophenyl)-8-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]quinazolin-4-amine
SMILESCOc1ccc(CNc2ncnc3c(OC)cc(-c4ccc(F)cc4)cc23)cn1
InChIInChI=1S/C22H19FN4O2/c1-28-19-10-16(15-4-6-17(23)7-5-15)9-18-21(19)26-13-27-22(18)25-12-14-3-8-20(29-2)24-11-14/h3-11,13H,12H2,1-2H3,(H,25,26,27)
InChIKeyYACILLGWPQKPBR-UHFFFAOYSA-N
XLogP4.46
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(4-fluorophenyl)-8-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]quinazolin-4-amine with MolForge

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Related Compounds

N-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-6-(4-fluorophenyl)-8-methoxyquinazolin-4-amine
CID 155364757
N-[(5-chloropyrimidin-2-yl)methyl]-6-(4-fluorophenyl)-8-methoxyquinazolin-4-amine
CID 155728512
2-[[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)ethanol
CID 155340172
N',N'-diethyl-N-[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]propane-1,3-diamine
CID 155728509
(2E)-3-[[[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]amino]methyl]penta-2,4-dienethial
CID 155364863
6-(4-fluorophenyl)-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 155728566
N-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine
CID 1474879
8-methoxy-6-(6-methoxypyridazin-3-yl)-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine
CID 155728177
N-[(3-fluoro-4-methoxyphenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine
CID 18796778
2-ethoxy-4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936544
N-[(4-chlorophenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine
CID 11710213
3,4-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936284

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-8-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]quinazolin-4-amine?
The IUPAC name of 6-(4-fluorophenyl)-8-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]quinazolin-4-amine (CID 155340253) is 6-(4-fluorophenyl)-8-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-8-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]quinazolin-4-amine?
The canonical SMILES for 6-(4-fluorophenyl)-8-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]quinazolin-4-amine is COc1ccc(CNc2ncnc3c(OC)cc(-c4ccc(F)cc4)cc23)cn1.
What is the InChIKey of 6-(4-fluorophenyl)-8-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]quinazolin-4-amine?
The InChIKey is YACILLGWPQKPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c1-28-19-10-16(15-4-6-17(23)7-5-15)9-18-21(19)26-13-27-22(18)25-12-14-3-8-20(29-2)24-11-14/h3-11,13H,12H2,1-2H3,(H,25,26,27).
What are the key properties of 6-(4-fluorophenyl)-8-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]quinazolin-4-amine?
6-(4-fluorophenyl)-8-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]quinazolin-4-amine has a molecular weight of 390.42 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-8-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 155340253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).