6-tert-butyl-2-ethyl-8-fluoro-4-(1H-imidazol-5-yl)quinazoline;6-tert-butyl-2-ethyl-8-fluoro-4-(1H-pyrazol-4-yl)quinazoline;6-tert-butyl-2-ethyl-8-fluoro-4-(1H-pyrazol-5-yl)quinazoline;1-[(6-tert-butyl-2-ethyl-8-fluoroquinazolin-4-yl)oxymethyl]cyclopropan-1-ol

C69H80F4N14O2 — CID 157331823

IUPAC6-tert-butyl-2-ethyl-8-fluoro-4-(1H-imidazol-5-yl)quinazoline;6-tert-butyl-2-ethyl-8-fluoro-4-(1H-pyrazol-4-yl)quinazoline;6-tert-butyl-2-ethyl-8-fluoro-4-(1H-pyrazol-5-yl)quinazoline;1-[(6-tert-butyl-2-ethyl-8-fluoroquinazolin-4-yl)oxymethyl]cyclopropan-1-ol
SMILESCCc1nc(-c2ccn[nH]2)c2cc(C(C)(C)C)cc(F)c2n1.CCc1nc(-c2cn[nH]c2)c2cc(C(C)(C)C)cc(F)c2n1.CCc1nc(-c2cnc[nH]2)c2cc(C(C)(C)C)cc(F)c2n1.CCc1nc(OCC2(O)CC2)c2cc(C(C)(C)C)cc(F)c2n1
InChIInChI=1S/C18H23FN2O2.3C17H19FN4/c1-5-14-20-15-12(8-11(9-13(15)19)17(2,3)4)16(21-14)23-10-18(22)6-7-18;1-5-14-21-15(10-8-19-20-9-10)12-6-11(17(2,3)4)7-13(18)16(12)22-14;1-5-14-21-15-11(16(22-14)13-8-19-9-20-13)6-10(7-12(15)18)17(2,3)4;1-5-14-20-15-11(16(21-14)13-6-7-19-22-13)8-10(9-12(15)18)17(2,3)4/h8-9,22H,5-7,10H2,1-4H3;2*6-9H,5H2,1-4H3,(H,19,20);6-9H,5H2,1-4H3,(H,19,22)
InChIKeyBFJKJEJHZQJZBF-UHFFFAOYSA-N
MW1213.49 g/mol
LogP15.59
Rot. Bonds10

About 6-tert-butyl-2-ethyl-8-fluoro-4-(1H-imidazol-5-yl)quinazoline;6-tert-butyl-2-ethyl-8-fluoro-4-(1H-pyrazol-4-yl)quinazoline;6-tert-butyl-2-ethyl-8-fluoro-4-(1H-pyrazol-5-yl)quinazoline;1-[(6-tert-butyl-2-ethyl-8-fluoroquinazolin-4-yl)oxymethyl]cyclopropan-1-ol

6-tert-butyl-2-ethyl-8-fluoro-4-(1H-imidazol-5-yl)quinazoline;6-tert-butyl-2-ethyl-8-fluoro-4-(1H-pyrazol-4-yl)quinazoline;6-tert-butyl-2-ethyl-8-fluoro-4-(1H-pyrazol-5-yl)quinazoline;1-[(6-tert-butyl-2-ethyl-8-fluoroquinazolin-4-yl)oxymethyl]cyclopropan-1-ol (PubChem CID 157331823) has the molecular formula C69H80F4N14O2 and a molecular weight of 1213.49 g/mol. Its IUPAC name is 6-tert-butyl-2-ethyl-8-fluoro-4-(1H-imidazol-5-yl)quinazoline;6-tert-butyl-2-ethyl-8-fluoro-4-(1H-pyrazol-4-yl)quinazoline;6-tert-butyl-2-ethyl-8-fluoro-4-(1H-pyrazol-5-yl)quinazoline;1-[(6-tert-butyl-2-ethyl-8-fluoroquinazolin-4-yl)oxymethyl]cyclopropan-1-ol.

Molecular Properties

Compound Name6-tert-butyl-2-ethyl-8-fluoro-4-(1H-imidazol-5-yl)quinazoline;6-tert-butyl-2-ethyl-8-fluoro-4-(1H-pyrazol-4-yl)quinazoline;6-tert-butyl-2-ethyl-8-fluoro-4-(1H-pyrazol-5-yl)quinazoline;1-[(6-tert-butyl-2-ethyl-8-fluoroquinazolin-4-yl)oxymethyl]cyclopropan-1-ol
PubChem CID157331823
Molecular FormulaC69H80F4N14O2
Molecular Weight1213.49 g/mol
Exact Mass1212.65
IUPAC Name6-tert-butyl-2-ethyl-8-fluoro-4-(1H-imidazol-5-yl)quinazoline;6-tert-butyl-2-ethyl-8-fluoro-4-(1H-pyrazol-4-yl)quinazoline;6-tert-butyl-2-ethyl-8-fluoro-4-(1H-pyrazol-5-yl)quinazoline;1-[(6-tert-butyl-2-ethyl-8-fluoroquinazolin-4-yl)oxymethyl]cyclopropan-1-ol
SMILESCCc1nc(-c2ccn[nH]2)c2cc(C(C)(C)C)cc(F)c2n1.CCc1nc(-c2cn[nH]c2)c2cc(C(C)(C)C)cc(F)c2n1.CCc1nc(-c2cnc[nH]2)c2cc(C(C)(C)C)cc(F)c2n1.CCc1nc(OCC2(O)CC2)c2cc(C(C)(C)C)cc(F)c2n1
InChIInChI=1S/C18H23FN2O2.3C17H19FN4/c1-5-14-20-15-12(8-11(9-13(15)19)17(2,3)4)16(21-14)23-10-18(22)6-7-18;1-5-14-21-15(10-8-19-20-9-10)12-6-11(17(2,3)4)7-13(18)16(12)22-14;1-5-14-21-15-11(16(22-14)13-8-19-9-20-13)6-10(7-12(15)18)17(2,3)4;1-5-14-20-15-11(16(21-14)13-6-7-19-22-13)8-10(9-12(15)18)17(2,3)4/h8-9,22H,5-7,10H2,1-4H3;2*6-9H,5H2,1-4H3,(H,19,20);6-9H,5H2,1-4H3,(H,19,22)
InChIKeyBFJKJEJHZQJZBF-UHFFFAOYSA-N
XLogP15.59
TPSA218.62 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001213.49
LogP ≤ 515.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 6-tert-butyl-2-ethyl-8-fluoro-4-(1H-imidazol-5-yl)quinazoline;6-tert-butyl-2-ethyl-8-fluoro-4-(1H-pyrazol-4-yl)quinazoline;6-tert-butyl-2-ethyl-8-fluoro-4-(1H-pyrazol-5-yl)quinazoline;1-[(6-tert-butyl-2-ethyl-8-fluoroquinazolin-4-yl)oxymethyl]cyclopropan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

1-[[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]-2,2-dimethylpropan-1-ol
CID 137177858
1-[[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]-3,3-dimethylbutan-1-ol
CID 137177861
1-[[5-[3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]-3,3-dimethylbutan-1-ol
CID 137287382
4-[4-[8-[4-(1H-imidazol-2-yl)phenyl]-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;4-[4-[4-methoxy-8-(1-methylpyrazol-4-yl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine
CID 144929858
6-[2-[[4-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline;2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol
CID 157435568
1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]-2-methylpropan-2-ol;(2R)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;(2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxybutan-2-ol;4-N-butyl-6-fluoro-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrrol-2-ylmethyl)quinoline-2,4-diamine
CID 165037646

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-ethyl-8-fluoro-4-(1H-imidazol-5-yl)quinazoline;6-tert-butyl-2-ethyl-8-fluoro-4-(1H-pyrazol-4-yl)quinazoline;6-tert-butyl-2-ethyl-8-fluoro-4-(1H-pyrazol-5-yl)quinazoline;1-[(6-tert-butyl-2-ethyl-8-fluoroquinazolin-4-yl)oxymethyl]cyclopropan-1-ol?
The IUPAC name of 6-tert-butyl-2-ethyl-8-fluoro-4-(1H-imidazol-5-yl)quinazoline;6-tert-butyl-2-ethyl-8-fluoro-4-(1H-pyrazol-4-yl)quinazoline;6-tert-butyl-2-ethyl-8-fluoro-4-(1H-pyrazol-5-yl)quinazoline;1-[(6-tert-butyl-2-ethyl-8-fluoroquinazolin-4-yl)oxymethyl]cyclopropan-1-ol (CID 157331823) is 6-tert-butyl-2-ethyl-8-fluoro-4-(1H-imidazol-5-yl)quinazoline;6-tert-butyl-2-ethyl-8-fluoro-4-(1H-pyrazol-4-yl)quinazoline;6-tert-butyl-2-ethyl-8-fluoro-4-(1H-pyrazol-5-yl)quinazoline;1-[(6-tert-butyl-2-ethyl-8-fluoroquinazolin-4-yl)oxymethyl]cyclopropan-1-ol.
What is the SMILES notation for 6-tert-butyl-2-ethyl-8-fluoro-4-(1H-imidazol-5-yl)quinazoline;6-tert-butyl-2-ethyl-8-fluoro-4-(1H-pyrazol-4-yl)quinazoline;6-tert-butyl-2-ethyl-8-fluoro-4-(1H-pyrazol-5-yl)quinazoline;1-[(6-tert-butyl-2-ethyl-8-fluoroquinazolin-4-yl)oxymethyl]cyclopropan-1-ol?
The canonical SMILES for 6-tert-butyl-2-ethyl-8-fluoro-4-(1H-imidazol-5-yl)quinazoline;6-tert-butyl-2-ethyl-8-fluoro-4-(1H-pyrazol-4-yl)quinazoline;6-tert-butyl-2-ethyl-8-fluoro-4-(1H-pyrazol-5-yl)quinazoline;1-[(6-tert-butyl-2-ethyl-8-fluoroquinazolin-4-yl)oxymethyl]cyclopropan-1-ol is CCc1nc(-c2ccn[nH]2)c2cc(C(C)(C)C)cc(F)c2n1.CCc1nc(-c2cn[nH]c2)c2cc(C(C)(C)C)cc(F)c2n1.CCc1nc(-c2cnc[nH]2)c2cc(C(C)(C)C)cc(F)c2n1.CCc1nc(OCC2(O)CC2)c2cc(C(C)(C)C)cc(F)c2n1.
What is the InChIKey of 6-tert-butyl-2-ethyl-8-fluoro-4-(1H-imidazol-5-yl)quinazoline;6-tert-butyl-2-ethyl-8-fluoro-4-(1H-pyrazol-4-yl)quinazoline;6-tert-butyl-2-ethyl-8-fluoro-4-(1H-pyrazol-5-yl)quinazoline;1-[(6-tert-butyl-2-ethyl-8-fluoroquinazolin-4-yl)oxymethyl]cyclopropan-1-ol?
The InChIKey is BFJKJEJHZQJZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2.3C17H19FN4/c1-5-14-20-15-12(8-11(9-13(15)19)17(2,3)4)16(21-14)23-10-18(22)6-7-18;1-5-14-21-15(10-8-19-20-9-10)12-6-11(17(2,3)4)7-13(18)16(12)22-14;1-5-14-21-15-11(16(22-14)13-8-19-9-20-13)6-10(7-12(15)18)17(2,3)4;1-5-14-20-15-11(16(21-14)13-6-7-19-22-13)8-10(9-12(15)18)17(2,3)4/h8-9,22H,5-7,10H2,1-4H3;2*6-9H,5H2,1-4H3,(H,19,20);6-9H,5H2,1-4H3,(H,19,22).
What are the key properties of 6-tert-butyl-2-ethyl-8-fluoro-4-(1H-imidazol-5-yl)quinazoline;6-tert-butyl-2-ethyl-8-fluoro-4-(1H-pyrazol-4-yl)quinazoline;6-tert-butyl-2-ethyl-8-fluoro-4-(1H-pyrazol-5-yl)quinazoline;1-[(6-tert-butyl-2-ethyl-8-fluoroquinazolin-4-yl)oxymethyl]cyclopropan-1-ol?
6-tert-butyl-2-ethyl-8-fluoro-4-(1H-imidazol-5-yl)quinazoline;6-tert-butyl-2-ethyl-8-fluoro-4-(1H-pyrazol-4-yl)quinazoline;6-tert-butyl-2-ethyl-8-fluoro-4-(1H-pyrazol-5-yl)quinazoline;1-[(6-tert-butyl-2-ethyl-8-fluoroquinazolin-4-yl)oxymethyl]cyclopropan-1-ol has a molecular weight of 1213.49 g/mol, XLogP of 15.59, 10 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-ethyl-8-fluoro-4-(1H-imidazol-5-yl)quinazoline;6-tert-butyl-2-ethyl-8-fluoro-4-(1H-pyrazol-4-yl)quinazoline;6-tert-butyl-2-ethyl-8-fluoro-4-(1H-pyrazol-5-yl)quinazoline;1-[(6-tert-butyl-2-ethyl-8-fluoroquinazolin-4-yl)oxymethyl]cyclopropan-1-ol is sourced from PubChem (CID 157331823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).