6-tert-butyl-8-fluoro-4-propoxyquinazoline

C15H19FN2O — CID 159416812

IUPAC6-tert-butyl-8-fluoro-4-propoxyquinazoline
SMILESCCCOc1ncnc2c(F)cc(C(C)(C)C)cc12
InChIInChI=1S/C15H19FN2O/c1-5-6-19-14-11-7-10(15(2,3)4)8-12(16)13(11)17-9-18-14/h7-9H,5-6H2,1-4H3
InChIKeyBDULJNVAZUJXSV-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.86
Rot. Bonds3

About 6-tert-butyl-8-fluoro-4-propoxyquinazoline

6-tert-butyl-8-fluoro-4-propoxyquinazoline (PubChem CID 159416812) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 6-tert-butyl-8-fluoro-4-propoxyquinazoline.

Molecular Properties

Compound Name6-tert-butyl-8-fluoro-4-propoxyquinazoline
PubChem CID159416812
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name6-tert-butyl-8-fluoro-4-propoxyquinazoline
SMILESCCCOc1ncnc2c(F)cc(C(C)(C)C)cc12
InChIInChI=1S/C15H19FN2O/c1-5-6-19-14-11-7-10(15(2,3)4)8-12(16)13(11)17-9-18-14/h7-9H,5-6H2,1-4H3
InChIKeyBDULJNVAZUJXSV-UHFFFAOYSA-N
XLogP3.86
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-fluoro-4-[2-(4-propylphenyl)ethoxy]quinazoline
CID 154480659
25,27-dibutoxy-5,11,17,23-tetratert-butyl-26,28-dipropoxy-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene
CID 101368304
methyl 2-[[8-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethoxy]quinazolin-6-yl]amino]-2-methylpropanoate
CID 155091547
4-propoxyquinazolin-6-amine
CID 64587338
5-methyl-6-propoxypyrimidin-4-amine
CID 80866562
2-[(6-tert-butyl-8-fluoro-3-methylquinolin-4-yl)methoxy]propanoic acid
CID 66974781
4-(5-bromo-2,3-difluorophenoxy)-6-propoxypyrimidin-5-amine
CID 107097377
4-(3-methoxy-3-methylbutoxy)-6-propoxypyrimidin-5-amine
CID 106664845
17,23-diamino-5,11-ditert-butyl-27,28-dipropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene-25,26-diol
CID 121199159
N-[(5-fluoro-2-propoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 114035545
5-tert-butyl-2-(4-tert-butyl-2,6-difluorophenyl)-1,3-difluorobenzene
CID 177477426
8-fluoro-4-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethoxy]quinazoline
CID 139616704

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-8-fluoro-4-propoxyquinazoline?
The IUPAC name of 6-tert-butyl-8-fluoro-4-propoxyquinazoline (CID 159416812) is 6-tert-butyl-8-fluoro-4-propoxyquinazoline.
What is the SMILES notation for 6-tert-butyl-8-fluoro-4-propoxyquinazoline?
The canonical SMILES for 6-tert-butyl-8-fluoro-4-propoxyquinazoline is CCCOc1ncnc2c(F)cc(C(C)(C)C)cc12.
What is the InChIKey of 6-tert-butyl-8-fluoro-4-propoxyquinazoline?
The InChIKey is BDULJNVAZUJXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-5-6-19-14-11-7-10(15(2,3)4)8-12(16)13(11)17-9-18-14/h7-9H,5-6H2,1-4H3.
What are the key properties of 6-tert-butyl-8-fluoro-4-propoxyquinazoline?
6-tert-butyl-8-fluoro-4-propoxyquinazoline has a molecular weight of 262.33 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-8-fluoro-4-propoxyquinazoline is sourced from PubChem (CID 159416812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).