6,7,8-trimethoxy-N-[(4-methoxy-3-prop-2-enylphenyl)methyl]quinazolin-4-amine

C22H25N3O4 — CID 18796676

IUPAC6,7,8-trimethoxy-N-[(4-methoxy-3-prop-2-enylphenyl)methyl]quinazolin-4-amine
SMILESC=CCc1cc(CNc2ncnc3c(OC)c(OC)c(OC)cc23)ccc1OC
InChIInChI=1S/C22H25N3O4/c1-6-7-15-10-14(8-9-17(15)26-2)12-23-22-16-11-18(27-3)20(28-4)21(29-5)19(16)24-13-25-22/h6,8-11,13H,1,7,12H2,2-5H3,(H,23,24,25)
InChIKeyQEEKNMKCRBJPLB-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.00
Rot. Bonds9

About 6,7,8-trimethoxy-N-[(4-methoxy-3-prop-2-enylphenyl)methyl]quinazolin-4-amine

6,7,8-trimethoxy-N-[(4-methoxy-3-prop-2-enylphenyl)methyl]quinazolin-4-amine (PubChem CID 18796676) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 6,7,8-trimethoxy-N-[(4-methoxy-3-prop-2-enylphenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6,7,8-trimethoxy-N-[(4-methoxy-3-prop-2-enylphenyl)methyl]quinazolin-4-amine
PubChem CID18796676
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name6,7,8-trimethoxy-N-[(4-methoxy-3-prop-2-enylphenyl)methyl]quinazolin-4-amine
SMILESC=CCc1cc(CNc2ncnc3c(OC)c(OC)c(OC)cc23)ccc1OC
InChIInChI=1S/C22H25N3O4/c1-6-7-15-10-14(8-9-17(15)26-2)12-23-22-16-11-18(27-3)20(28-4)21(29-5)19(16)24-13-25-22/h6,8-11,13H,1,7,12H2,2-5H3,(H,23,24,25)
InChIKeyQEEKNMKCRBJPLB-UHFFFAOYSA-N
XLogP4.00
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine
CID 18796778
N-[(4-chlorophenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine
CID 11710213
N-benzyl-6,7,8-trimethoxyquinazolin-4-amine
CID 18796773
6,7,8-trimethoxy-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine
CID 18796791
N-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxyquinazolin-4-amine
CID 90489034
N-(1,3-benzodioxol-5-ylmethyl)-6,8-dimethoxyquinazolin-4-amine
CID 10065791
N-[2-(1H-imidazol-5-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-amine
CID 18796736
2-N-(2-aminoethyl)-4-N-(1,3-benzodioxol-5-ylmethyl)-6,7,8-trimethoxyquinazoline-2,4-diamine
CID 21183886
N-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 21002356
1-methoxy-4-(methoxymethyl)-2-prop-2-enylbenzene
CID 59727862
5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentanoic acid
CID 19605807
N-[4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-yl]-2-methylpropanamide
CID 24810299

Frequently Asked Questions

What is the IUPAC name of 6,7,8-trimethoxy-N-[(4-methoxy-3-prop-2-enylphenyl)methyl]quinazolin-4-amine?
The IUPAC name of 6,7,8-trimethoxy-N-[(4-methoxy-3-prop-2-enylphenyl)methyl]quinazolin-4-amine (CID 18796676) is 6,7,8-trimethoxy-N-[(4-methoxy-3-prop-2-enylphenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 6,7,8-trimethoxy-N-[(4-methoxy-3-prop-2-enylphenyl)methyl]quinazolin-4-amine?
The canonical SMILES for 6,7,8-trimethoxy-N-[(4-methoxy-3-prop-2-enylphenyl)methyl]quinazolin-4-amine is C=CCc1cc(CNc2ncnc3c(OC)c(OC)c(OC)cc23)ccc1OC.
What is the InChIKey of 6,7,8-trimethoxy-N-[(4-methoxy-3-prop-2-enylphenyl)methyl]quinazolin-4-amine?
The InChIKey is QEEKNMKCRBJPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-6-7-15-10-14(8-9-17(15)26-2)12-23-22-16-11-18(27-3)20(28-4)21(29-5)19(16)24-13-25-22/h6,8-11,13H,1,7,12H2,2-5H3,(H,23,24,25).
What are the key properties of 6,7,8-trimethoxy-N-[(4-methoxy-3-prop-2-enylphenyl)methyl]quinazolin-4-amine?
6,7,8-trimethoxy-N-[(4-methoxy-3-prop-2-enylphenyl)methyl]quinazolin-4-amine has a molecular weight of 395.46 g/mol, XLogP of 4.00, 9 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-[(4-methoxy-3-prop-2-enylphenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 18796676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).