7-[[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-(4-bromo-3-chloroanilino)quinazolin-6-ol

C20H17BrClN3O4 — CID 70795175

IUPAC7-[[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-(4-bromo-3-chloroanilino)quinazolin-6-ol
SMILESOc1cc2c(Nc3ccc(Br)c(Cl)c3)ncnc2cc1O[C@@H]1COC2CCOC21
InChIInChI=1S/C20H17BrClN3O4/c21-12-2-1-10(5-13(12)22)25-20-11-6-15(26)17(7-14(11)23-9-24-20)29-18-8-28-16-3-4-27-19(16)18/h1-2,5-7,9,16,18-19,26H,3-4,8H2,(H,23,24,25)/t16?,18-,19?/m1/s1
InChIKeyUKSCHBZCRBPOCH-CUYAVPTFSA-N
MW478.73 g/mol
LogP4.43
Rot. Bonds4

About 7-[[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-(4-bromo-3-chloroanilino)quinazolin-6-ol

7-[[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-(4-bromo-3-chloroanilino)quinazolin-6-ol (PubChem CID 70795175) has the molecular formula C20H17BrClN3O4 and a molecular weight of 478.73 g/mol. Its IUPAC name is 7-[[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-(4-bromo-3-chloroanilino)quinazolin-6-ol.

Molecular Properties

Compound Name7-[[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-(4-bromo-3-chloroanilino)quinazolin-6-ol
PubChem CID70795175
Molecular FormulaC20H17BrClN3O4
Molecular Weight478.73 g/mol
Exact Mass477.01
IUPAC Name7-[[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-(4-bromo-3-chloroanilino)quinazolin-6-ol
SMILESOc1cc2c(Nc3ccc(Br)c(Cl)c3)ncnc2cc1O[C@@H]1COC2CCOC21
InChIInChI=1S/C20H17BrClN3O4/c21-12-2-1-10(5-13(12)22)25-20-11-6-15(26)17(7-14(11)23-9-24-20)29-18-8-28-16-3-4-27-19(16)18/h1-2,5-7,9,16,18-19,26H,3-4,8H2,(H,23,24,25)/t16?,18-,19?/m1/s1
InChIKeyUKSCHBZCRBPOCH-CUYAVPTFSA-N
XLogP4.43
TPSA85.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.73
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-[[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-(4-bromo-3-chloroanilino)quinazolin-6-ol with MolForge

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Related Compounds

7-[[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-(2,4-dichloroanilino)quinazolin-6-ol
CID 70795228
7-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)-4-(3-chloro-2-fluoroanilino)quinazolin-6-ol
CID 70801633
7-[[(3S,3aS,6R,6aS)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-N-(4-bromo-3-chlorophenyl)-6-methoxyquinazolin-4-amine
CID 66838506
7-[[(3R,6R)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-N-(4-bromo-3-chlorophenyl)-6-methoxyquinazolin-4-amine
CID 71085597
(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol
CID 145270386
7-[[(3R,3aS,5R,6S,6aR)-5,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-N-(4-bromo-3-chlorophenyl)-6-methoxyquinazolin-4-amine
CID 66838711
N-(4-bromo-3-chlorophenyl)-7-[[(1S,6R,8R,9S)-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl]oxy]-6-methoxyquinazolin-4-amine
CID 10053645
(3S,3aR,6aR)-6-[2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 126652403
7-[[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-N-[3-bromo-5-(trifluoromethyl)phenyl]-6-methoxyquinazolin-4-amine
CID 70801506
7-[[(6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-N-[4-fluoro-3-methyl-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-6-methoxyquinazolin-4-amine
CID 162558478
N-[4-[[(3S,3aR,6S,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-3-chlorophenyl]-6,7-dimethoxyquinazolin-4-amine
CID 126646672
4-N-(4-bromo-3-chlorophenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 131745853

Frequently Asked Questions

What is the IUPAC name of 7-[[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-(4-bromo-3-chloroanilino)quinazolin-6-ol?
The IUPAC name of 7-[[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-(4-bromo-3-chloroanilino)quinazolin-6-ol (CID 70795175) is 7-[[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-(4-bromo-3-chloroanilino)quinazolin-6-ol.
What is the SMILES notation for 7-[[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-(4-bromo-3-chloroanilino)quinazolin-6-ol?
The canonical SMILES for 7-[[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-(4-bromo-3-chloroanilino)quinazolin-6-ol is Oc1cc2c(Nc3ccc(Br)c(Cl)c3)ncnc2cc1O[C@@H]1COC2CCOC21.
What is the InChIKey of 7-[[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-(4-bromo-3-chloroanilino)quinazolin-6-ol?
The InChIKey is UKSCHBZCRBPOCH-CUYAVPTFSA-N. The full InChI is InChI=1S/C20H17BrClN3O4/c21-12-2-1-10(5-13(12)22)25-20-11-6-15(26)17(7-14(11)23-9-24-20)29-18-8-28-16-3-4-27-19(16)18/h1-2,5-7,9,16,18-19,26H,3-4,8H2,(H,23,24,25)/t16?,18-,19?/m1/s1.
What are the key properties of 7-[[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-(4-bromo-3-chloroanilino)quinazolin-6-ol?
7-[[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-(4-bromo-3-chloroanilino)quinazolin-6-ol has a molecular weight of 478.73 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-(4-bromo-3-chloroanilino)quinazolin-6-ol is sourced from PubChem (CID 70795175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).