6,7,8-trimethoxy-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine

C19H21N3O4 — CID 18796791

IUPAC6,7,8-trimethoxy-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1cccc(CNc2ncnc3c(OC)c(OC)c(OC)cc23)c1
InChIInChI=1S/C19H21N3O4/c1-23-13-7-5-6-12(8-13)10-20-19-14-9-15(24-2)17(25-3)18(26-4)16(14)21-11-22-19/h5-9,11H,10H2,1-4H3,(H,20,21,22)
InChIKeyIATGPZYGDJTYBV-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.28
Rot. Bonds7

About 6,7,8-trimethoxy-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine

6,7,8-trimethoxy-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine (PubChem CID 18796791) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 6,7,8-trimethoxy-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6,7,8-trimethoxy-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine
PubChem CID18796791
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name6,7,8-trimethoxy-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1cccc(CNc2ncnc3c(OC)c(OC)c(OC)cc23)c1
InChIInChI=1S/C19H21N3O4/c1-23-13-7-5-6-12(8-13)10-20-19-14-9-15(24-2)17(25-3)18(26-4)16(14)21-11-22-19/h5-9,11H,10H2,1-4H3,(H,20,21,22)
InChIKeyIATGPZYGDJTYBV-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-benzyl-6,7,8-trimethoxyquinazolin-4-amine
CID 18796773
N-[(4-chlorophenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine
CID 11710213
N-[(3-fluoro-4-methoxyphenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine
CID 18796778
6,7,8-trimethoxy-N-[(4-methoxy-3-prop-2-enylphenyl)methyl]quinazolin-4-amine
CID 18796676
N-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxyquinazolin-4-amine
CID 90489034
N-[(3-methoxyphenyl)methyl]-3-methyltriazolo[4,5-d]pyrimidin-7-amine
CID 7424163
6-chloro-5-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 106193509
5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentanoic acid
CID 19605807
N-(1,3-benzodioxol-5-ylmethyl)-6,8-dimethoxyquinazolin-4-amine
CID 10065791
6-[4-[(dimethylamino)methyl]phenyl]-N-[(3-methoxyphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 69180833
2-N-[(3-methoxyphenyl)methyl]pyridine-2,3-diamine
CID 61029303
4-[[3-(2-methoxyethoxy)phenyl]methylamino]quinazoline-8-carboxamide
CID 66763206

Frequently Asked Questions

What is the IUPAC name of 6,7,8-trimethoxy-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine?
The IUPAC name of 6,7,8-trimethoxy-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine (CID 18796791) is 6,7,8-trimethoxy-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 6,7,8-trimethoxy-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine?
The canonical SMILES for 6,7,8-trimethoxy-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine is COc1cccc(CNc2ncnc3c(OC)c(OC)c(OC)cc23)c1.
What is the InChIKey of 6,7,8-trimethoxy-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine?
The InChIKey is IATGPZYGDJTYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-23-13-7-5-6-12(8-13)10-20-19-14-9-15(24-2)17(25-3)18(26-4)16(14)21-11-22-19/h5-9,11H,10H2,1-4H3,(H,20,21,22).
What are the key properties of 6,7,8-trimethoxy-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine?
6,7,8-trimethoxy-N-[(3-methoxyphenyl)methyl]quinazolin-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 6,7,8-trimethoxy-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 18796791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).