N-[2-[(3-ethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)oxy]-4-fluorophenyl]-5,7-dimethylquinazolin-4-amine

C24H26FN3O4 — CID 123197780

IUPACN-[2-[(3-ethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)oxy]-4-fluorophenyl]-5,7-dimethylquinazolin-4-amine
SMILESCCOC1COC2C(Oc3cc(F)ccc3Nc3ncnc4cc(C)cc(C)c34)COC12
InChIInChI=1S/C24H26FN3O4/c1-4-29-19-10-30-23-20(11-31-22(19)23)32-18-9-15(25)5-6-16(18)28-24-21-14(3)7-13(2)8-17(21)26-12-27-24/h5-9,12,19-20,22-23H,4,10-11H2,1-3H3,(H,26,27,28)
InChIKeyDGFSGOSCNHNYFH-UHFFFAOYSA-N
MW439.49 g/mol
LogP4.08
Rot. Bonds6

About N-[2-[(3-ethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)oxy]-4-fluorophenyl]-5,7-dimethylquinazolin-4-amine

N-[2-[(3-ethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)oxy]-4-fluorophenyl]-5,7-dimethylquinazolin-4-amine (PubChem CID 123197780) has the molecular formula C24H26FN3O4 and a molecular weight of 439.49 g/mol. Its IUPAC name is N-[2-[(3-ethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)oxy]-4-fluorophenyl]-5,7-dimethylquinazolin-4-amine.

Molecular Properties

Compound NameN-[2-[(3-ethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)oxy]-4-fluorophenyl]-5,7-dimethylquinazolin-4-amine
PubChem CID123197780
Molecular FormulaC24H26FN3O4
Molecular Weight439.49 g/mol
Exact Mass439.19
IUPAC NameN-[2-[(3-ethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)oxy]-4-fluorophenyl]-5,7-dimethylquinazolin-4-amine
SMILESCCOC1COC2C(Oc3cc(F)ccc3Nc3ncnc4cc(C)cc(C)c34)COC12
InChIInChI=1S/C24H26FN3O4/c1-4-29-19-10-30-23-20(11-31-22(19)23)32-18-9-15(25)5-6-16(18)28-24-21-14(3)7-13(2)8-17(21)26-12-27-24/h5-9,12,19-20,22-23H,4,10-11H2,1-3H3,(H,26,27,28)
InChIKeyDGFSGOSCNHNYFH-UHFFFAOYSA-N
XLogP4.08
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[(3-ethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)oxy]-4-fluorophenyl]-5,7-dimethylquinazolin-4-amine with MolForge

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Related Compounds

N-[2-[[(3R,3aR,6R,6aR)-3-ethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-fluorophenyl]-5-methyl-7-[(1-oxothiolan-1-ylidene)amino]quinazolin-4-amine
CID 90140538
4-N-[2-[[(3aR,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-fluorophenyl]-6-methoxy-5-methylquinazoline-4,7-diamine
CID 144956164
N-[2-[[(3R,3aR,6S,6aS)-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-4-fluorophenyl]-5-methyl-7-[(1-oxothiolan-1-ylidene)amino]quinazolin-4-amine
CID 90140570
(3S,3aR,6R,6aS)-6-[2-[[7-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-5-methylquinazolin-4-yl]amino]-5-fluorophenoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-carbonitrile
CID 90140568
5-ethoxy-4-N-[4-fluoro-2-[(3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)oxy]phenyl]-7-N-(methyl-methylidene-oxo-λ6-sulfanyl)quinazoline-4,7-diamine
CID 123350873
(6R)-6-[2-[[7-[(dimethyl-λ4-sulfanylidene)amino]-5-fluoroquinazolin-4-yl]amino]-5-fluorophenoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 129116256
N-[2-[[(3aR,6R)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-fluorophenyl]-6-methoxy-5-methyl-7-(thietan-1-ylideneamino)quinazolin-4-amine
CID 139397305
N-[2-[[(3aR,6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-fluorophenyl]-7-[(3-methoxythietan-1-ylidene)amino]-5-methylquinazolin-4-amine
CID 129116590
N-[2-[[(3R,3aR,6R)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-fluorophenyl]-5-chloro-7-[[dimethyl(oxo)-λ6-sulfanylidene]amino]quinazolin-4-amine
CID 129116228
4-[2-[(7-amino-5-methylquinazolin-4-yl)amino]-5-fluorophenoxy]cyclohexan-1-ol;methanethiol
CID 144622962
7-[(dimethyl-λ4-sulfanylidene)amino]-N-[4-fluoro-2-(oxetan-3-yloxy)phenyl]-5-methylquinazolin-4-amine
CID 129117178
7-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-[4-fluoro-2-[4-(2-methoxyethoxy)oxolan-3-yl]oxyphenyl]-5-methylquinazolin-4-amine
CID 144854910

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-ethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)oxy]-4-fluorophenyl]-5,7-dimethylquinazolin-4-amine?
The IUPAC name of N-[2-[(3-ethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)oxy]-4-fluorophenyl]-5,7-dimethylquinazolin-4-amine (CID 123197780) is N-[2-[(3-ethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)oxy]-4-fluorophenyl]-5,7-dimethylquinazolin-4-amine.
What is the SMILES notation for N-[2-[(3-ethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)oxy]-4-fluorophenyl]-5,7-dimethylquinazolin-4-amine?
The canonical SMILES for N-[2-[(3-ethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)oxy]-4-fluorophenyl]-5,7-dimethylquinazolin-4-amine is CCOC1COC2C(Oc3cc(F)ccc3Nc3ncnc4cc(C)cc(C)c34)COC12.
What is the InChIKey of N-[2-[(3-ethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)oxy]-4-fluorophenyl]-5,7-dimethylquinazolin-4-amine?
The InChIKey is DGFSGOSCNHNYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O4/c1-4-29-19-10-30-23-20(11-31-22(19)23)32-18-9-15(25)5-6-16(18)28-24-21-14(3)7-13(2)8-17(21)26-12-27-24/h5-9,12,19-20,22-23H,4,10-11H2,1-3H3,(H,26,27,28).
What are the key properties of N-[2-[(3-ethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)oxy]-4-fluorophenyl]-5,7-dimethylquinazolin-4-amine?
N-[2-[(3-ethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)oxy]-4-fluorophenyl]-5,7-dimethylquinazolin-4-amine has a molecular weight of 439.49 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-ethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)oxy]-4-fluorophenyl]-5,7-dimethylquinazolin-4-amine is sourced from PubChem (CID 123197780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).