7-[[(3S,3aR,6S,6aS)-6-ethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine

C24H25Cl2N3O5 — CID 66838511

IUPAC7-[[(3S,3aR,6S,6aS)-6-ethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine
SMILESCCO[C@H]1CO[C@@H]2[C@H](COc3cc4ncnc(Nc5ccc(Cl)c(Cl)c5)c4cc3OC)CO[C@@H]21
InChIInChI=1S/C24H25Cl2N3O5/c1-3-31-21-11-34-22-13(10-33-23(21)22)9-32-20-8-18-15(7-19(20)30-2)24(28-12-27-18)29-14-4-5-16(25)17(26)6-14/h4-8,12-13,21-23H,3,9-11H2,1-2H3,(H,27,28,29)/t13-,21+,22-,23-/m1/s1
InChIKeyKFTRSFMLHMBJMH-VHQKCTGVSA-N
MW506.39 g/mol
LogP4.89
Rot. Bonds8

About 7-[[(3S,3aR,6S,6aS)-6-ethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine

7-[[(3S,3aR,6S,6aS)-6-ethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine (PubChem CID 66838511) has the molecular formula C24H25Cl2N3O5 and a molecular weight of 506.39 g/mol. Its IUPAC name is 7-[[(3S,3aR,6S,6aS)-6-ethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine.

Molecular Properties

Compound Name7-[[(3S,3aR,6S,6aS)-6-ethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine
PubChem CID66838511
Molecular FormulaC24H25Cl2N3O5
Molecular Weight506.39 g/mol
Exact Mass505.12
IUPAC Name7-[[(3S,3aR,6S,6aS)-6-ethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine
SMILESCCO[C@H]1CO[C@@H]2[C@H](COc3cc4ncnc(Nc5ccc(Cl)c(Cl)c5)c4cc3OC)CO[C@@H]21
InChIInChI=1S/C24H25Cl2N3O5/c1-3-31-21-11-34-22-13(10-33-23(21)22)9-32-20-8-18-15(7-19(20)30-2)24(28-12-27-18)29-14-4-5-16(25)17(26)6-14/h4-8,12-13,21-23H,3,9-11H2,1-2H3,(H,27,28,29)/t13-,21+,22-,23-/m1/s1
InChIKeyKFTRSFMLHMBJMH-VHQKCTGVSA-N
XLogP4.89
TPSA83.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.39
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-[[(3S,3aR,6S,6aS)-6-ethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine with MolForge

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Related Compounds

7-[[(3S,3aR,6S,6aS)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]methoxy]-N-(4,5-dichloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 66954904
7-[[(3S,3aR,6S,6aS)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]methoxy]-N-(4-bromo-2,3-dichlorophenyl)-6-methoxyquinazolin-4-amine
CID 66954887
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
N-(3,4-dichlorophenyl)-6-methoxy-7-(oxepan-2-ylmethoxy)quinazolin-4-amine
CID 153068829
(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
CID 89260984
CID 89260984
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
7-[[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine
CID 10073562
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine
CID 59772897
N-(3-chloro-4-fluorophenyl)-6-(ethoxymethoxy)-7-methoxyquinazolin-4-amine
CID 150119813
N-(3,4-dichlorophenyl)-7-[(4-ethyl-1-propylpiperazin-2-yl)methoxy]-6-methoxyquinazolin-4-amine
CID 70795309

Frequently Asked Questions

What is the IUPAC name of 7-[[(3S,3aR,6S,6aS)-6-ethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine?
The IUPAC name of 7-[[(3S,3aR,6S,6aS)-6-ethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine (CID 66838511) is 7-[[(3S,3aR,6S,6aS)-6-ethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine.
What is the SMILES notation for 7-[[(3S,3aR,6S,6aS)-6-ethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine?
The canonical SMILES for 7-[[(3S,3aR,6S,6aS)-6-ethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine is CCO[C@H]1CO[C@@H]2[C@H](COc3cc4ncnc(Nc5ccc(Cl)c(Cl)c5)c4cc3OC)CO[C@@H]21.
What is the InChIKey of 7-[[(3S,3aR,6S,6aS)-6-ethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine?
The InChIKey is KFTRSFMLHMBJMH-VHQKCTGVSA-N. The full InChI is InChI=1S/C24H25Cl2N3O5/c1-3-31-21-11-34-22-13(10-33-23(21)22)9-32-20-8-18-15(7-19(20)30-2)24(28-12-27-18)29-14-4-5-16(25)17(26)6-14/h4-8,12-13,21-23H,3,9-11H2,1-2H3,(H,27,28,29)/t13-,21+,22-,23-/m1/s1.
What are the key properties of 7-[[(3S,3aR,6S,6aS)-6-ethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine?
7-[[(3S,3aR,6S,6aS)-6-ethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine has a molecular weight of 506.39 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(3S,3aR,6S,6aS)-6-ethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine is sourced from PubChem (CID 66838511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).