N-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxyquinazolin-4-amine

C19H21N3O4 — CID 90489034

IUPACN-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxyquinazolin-4-amine
SMILESCOc1ccc(CNc2ncnc3c(OC)c(OC)ccc23)cc1OC
InChIInChI=1S/C19H21N3O4/c1-23-14-7-5-12(9-16(14)25-3)10-20-19-13-6-8-15(24-2)18(26-4)17(13)21-11-22-19/h5-9,11H,10H2,1-4H3,(H,20,21,22)
InChIKeyTYMPMZOYLWMMLR-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.28
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxyquinazolin-4-amine

N-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxyquinazolin-4-amine (PubChem CID 90489034) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxyquinazolin-4-amine
PubChem CID90489034
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxyquinazolin-4-amine
SMILESCOc1ccc(CNc2ncnc3c(OC)c(OC)ccc23)cc1OC
InChIInChI=1S/C19H21N3O4/c1-23-14-7-5-12(9-16(14)25-3)10-20-19-13-6-8-15(24-2)18(26-4)17(13)21-11-22-19/h5-9,11H,10H2,1-4H3,(H,20,21,22)
InChIKeyTYMPMZOYLWMMLR-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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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 21002356
N-[(3-fluoro-4-methoxyphenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine
CID 18796778
N-[2-(4-fluorophenyl)ethyl]-7,8-dimethoxyquinazolin-4-amine
CID 110431423
N-(furan-2-ylmethyl)-7,8-dimethoxyquinazolin-4-amine
CID 110431410
N-[(2-fluorophenyl)methyl]-7,8-dimethoxyquinazolin-4-amine
CID 110431413
N-[(4-chlorophenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine
CID 11710213
6,7,8-trimethoxy-N-[(4-methoxy-3-prop-2-enylphenyl)methyl]quinazolin-4-amine
CID 18796676
N-benzyl-6,7,8-trimethoxyquinazolin-4-amine
CID 18796773
6,7,8-trimethoxy-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine
CID 18796791
N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine
CID 36835195
N-[(3,4-dimethoxyphenyl)methyl]-7H-purin-6-amine
CID 11529329
7,8-dimethoxy-N-pentan-3-ylquinazolin-4-amine
CID 155122341

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxyquinazolin-4-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxyquinazolin-4-amine (CID 90489034) is N-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxyquinazolin-4-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxyquinazolin-4-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxyquinazolin-4-amine is COc1ccc(CNc2ncnc3c(OC)c(OC)ccc23)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxyquinazolin-4-amine?
The InChIKey is TYMPMZOYLWMMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-23-14-7-5-12(9-16(14)25-3)10-20-19-13-6-8-15(24-2)18(26-4)17(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]-7,8-dimethoxyquinazolin-4-amine?
N-[(3,4-dimethoxyphenyl)methyl]-7,8-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]-7,8-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 90489034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).