N-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyquinazolin-4-amine

C19H21N3O4 — CID 1490247

IUPACN-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1ccc(CNc2ncnc3cc(OC)c(OC)cc23)cc1OC
InChIInChI=1S/C19H21N3O4/c1-23-15-6-5-12(7-16(15)24-2)10-20-19-13-8-17(25-3)18(26-4)9-14(13)21-11-22-19/h5-9,11H,10H2,1-4H3,(H,20,21,22)
InChIKeyJDLKXBSYQLJIBB-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.28
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyquinazolin-4-amine

N-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyquinazolin-4-amine (PubChem CID 1490247) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyquinazolin-4-amine
PubChem CID1490247
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1ccc(CNc2ncnc3cc(OC)c(OC)cc23)cc1OC
InChIInChI=1S/C19H21N3O4/c1-23-15-6-5-12(7-16(15)24-2)10-20-19-13-8-17(25-3)18(26-4)9-14(13)21-11-22-19/h5-9,11H,10H2,1-4H3,(H,20,21,22)
InChIKeyJDLKXBSYQLJIBB-UHFFFAOYSA-N
XLogP3.28
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyquinazolin-4-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyquinazolin-4-amine (CID 1490247) is N-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyquinazolin-4-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyquinazolin-4-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyquinazolin-4-amine is COc1ccc(CNc2ncnc3cc(OC)c(OC)cc23)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyquinazolin-4-amine?
The InChIKey is JDLKXBSYQLJIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-23-15-6-5-12(7-16(15)24-2)10-20-19-13-8-17(25-3)18(26-4)9-14(13)21-11-22-19/h5-9,11H,10H2,1-4H3,(H,20,21,22).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyquinazolin-4-amine?
N-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyquinazolin-4-amine has a molecular weight of 355.39 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 1490247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).