N-(3,5-dimethoxy-4-propan-2-yloxyphenyl)-6,7-dimethoxyquinazolin-4-amine

C21H25N3O5 — CID 5330465

IUPACN-(3,5-dimethoxy-4-propan-2-yloxyphenyl)-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3cc(OC)c(OC(C)C)c(OC)c3)c2cc1OC
InChIInChI=1S/C21H25N3O5/c1-12(2)29-20-18(27-5)7-13(8-19(20)28-6)24-21-14-9-16(25-3)17(26-4)10-15(14)22-11-23-21/h7-12H,1-6H3,(H,22,23,24)
InChIKeyUFAWFNLKKMDVPJ-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.20
Rot. Bonds8

About N-(3,5-dimethoxy-4-propan-2-yloxyphenyl)-6,7-dimethoxyquinazolin-4-amine

N-(3,5-dimethoxy-4-propan-2-yloxyphenyl)-6,7-dimethoxyquinazolin-4-amine (PubChem CID 5330465) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-(3,5-dimethoxy-4-propan-2-yloxyphenyl)-6,7-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxy-4-propan-2-yloxyphenyl)-6,7-dimethoxyquinazolin-4-amine
PubChem CID5330465
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC NameN-(3,5-dimethoxy-4-propan-2-yloxyphenyl)-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3cc(OC)c(OC(C)C)c(OC)c3)c2cc1OC
InChIInChI=1S/C21H25N3O5/c1-12(2)29-20-18(27-5)7-13(8-19(20)28-6)24-21-14-9-16(25-3)17(26-4)10-15(14)22-11-23-21/h7-12H,1-6H3,(H,22,23,24)
InChIKeyUFAWFNLKKMDVPJ-UHFFFAOYSA-N
XLogP4.20
TPSA83.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamine
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Icotinib
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PD-153035
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Cudc-101
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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxy-4-propan-2-yloxyphenyl)-6,7-dimethoxyquinazolin-4-amine?
The IUPAC name of N-(3,5-dimethoxy-4-propan-2-yloxyphenyl)-6,7-dimethoxyquinazolin-4-amine (CID 5330465) is N-(3,5-dimethoxy-4-propan-2-yloxyphenyl)-6,7-dimethoxyquinazolin-4-amine.
What is the SMILES notation for N-(3,5-dimethoxy-4-propan-2-yloxyphenyl)-6,7-dimethoxyquinazolin-4-amine?
The canonical SMILES for N-(3,5-dimethoxy-4-propan-2-yloxyphenyl)-6,7-dimethoxyquinazolin-4-amine is COc1cc2ncnc(Nc3cc(OC)c(OC(C)C)c(OC)c3)c2cc1OC.
What is the InChIKey of N-(3,5-dimethoxy-4-propan-2-yloxyphenyl)-6,7-dimethoxyquinazolin-4-amine?
The InChIKey is UFAWFNLKKMDVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5/c1-12(2)29-20-18(27-5)7-13(8-19(20)28-6)24-21-14-9-16(25-3)17(26-4)10-15(14)22-11-23-21/h7-12H,1-6H3,(H,22,23,24).
What are the key properties of N-(3,5-dimethoxy-4-propan-2-yloxyphenyl)-6,7-dimethoxyquinazolin-4-amine?
N-(3,5-dimethoxy-4-propan-2-yloxyphenyl)-6,7-dimethoxyquinazolin-4-amine has a molecular weight of 399.45 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxy-4-propan-2-yloxyphenyl)-6,7-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 5330465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).