4-[(2-amino-6,7,8-trimethoxyquinazolin-4-yl)methyl]-2-methoxyphenol

C19H21N3O5 — CID 150058857

IUPAC4-[(2-amino-6,7,8-trimethoxyquinazolin-4-yl)methyl]-2-methoxyphenol
SMILESCOc1cc(Cc2nc(N)nc3c(OC)c(OC)c(OC)cc23)ccc1O
InChIInChI=1S/C19H21N3O5/c1-24-14-8-10(5-6-13(14)23)7-12-11-9-15(25-2)17(26-3)18(27-4)16(11)22-19(20)21-12/h5-6,8-9,23H,7H2,1-4H3,(H2,20,21,22)
InChIKeyDMWLUCPQBUJAPZ-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.54
Rot. Bonds6

About 4-[(2-amino-6,7,8-trimethoxyquinazolin-4-yl)methyl]-2-methoxyphenol

4-[(2-amino-6,7,8-trimethoxyquinazolin-4-yl)methyl]-2-methoxyphenol (PubChem CID 150058857) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is 4-[(2-amino-6,7,8-trimethoxyquinazolin-4-yl)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(2-amino-6,7,8-trimethoxyquinazolin-4-yl)methyl]-2-methoxyphenol
PubChem CID150058857
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name4-[(2-amino-6,7,8-trimethoxyquinazolin-4-yl)methyl]-2-methoxyphenol
SMILESCOc1cc(Cc2nc(N)nc3c(OC)c(OC)c(OC)cc23)ccc1O
InChIInChI=1S/C19H21N3O5/c1-24-14-8-10(5-6-13(14)23)7-12-11-9-15(25-2)17(26-3)18(27-4)16(11)22-19(20)21-12/h5-6,8-9,23H,7H2,1-4H3,(H2,20,21,22)
InChIKeyDMWLUCPQBUJAPZ-UHFFFAOYSA-N
XLogP2.54
TPSA108.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[3-(1,3-benzodioxol-5-yl)propyl]-6,7,8-trimethoxyquinazolin-2-amine
CID 150246554
4-[(4-chlorophenyl)methyl]-2-methoxyphenol
CID 174578571
4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxyphenol;ethane
CID 142411421
4-[(5-chloro-6-methoxytriazin-4-yl)methyl]-2-methoxyphenol
CID 143041909
4-(aminomethyl)-2-methoxyphenol;hydrobromide
CID 68756614
4-[(2S)-2-amino-2-tritioethyl]-2-methoxyphenol
CID 10845923
4,6-dichloro-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
CID 12655207
2-methoxy-4-(thiophen-3-ylmethyl)phenol
CID 175997325
2-amino-4-[(6,7-dimethoxyisoquinolin-4-yl)methyl]phenol;ethane
CID 144620268
ethane;2-methoxy-4-propylphenol
CID 144852330
2-(4-hydroxy-3-methoxyphenyl)ethylazanium
CID 6927014
4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol
CID 22599015

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-6,7,8-trimethoxyquinazolin-4-yl)methyl]-2-methoxyphenol?
The IUPAC name of 4-[(2-amino-6,7,8-trimethoxyquinazolin-4-yl)methyl]-2-methoxyphenol (CID 150058857) is 4-[(2-amino-6,7,8-trimethoxyquinazolin-4-yl)methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(2-amino-6,7,8-trimethoxyquinazolin-4-yl)methyl]-2-methoxyphenol?
The canonical SMILES for 4-[(2-amino-6,7,8-trimethoxyquinazolin-4-yl)methyl]-2-methoxyphenol is COc1cc(Cc2nc(N)nc3c(OC)c(OC)c(OC)cc23)ccc1O.
What is the InChIKey of 4-[(2-amino-6,7,8-trimethoxyquinazolin-4-yl)methyl]-2-methoxyphenol?
The InChIKey is DMWLUCPQBUJAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-24-14-8-10(5-6-13(14)23)7-12-11-9-15(25-2)17(26-3)18(27-4)16(11)22-19(20)21-12/h5-6,8-9,23H,7H2,1-4H3,(H2,20,21,22).
What are the key properties of 4-[(2-amino-6,7,8-trimethoxyquinazolin-4-yl)methyl]-2-methoxyphenol?
4-[(2-amino-6,7,8-trimethoxyquinazolin-4-yl)methyl]-2-methoxyphenol has a molecular weight of 371.39 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-6,7,8-trimethoxyquinazolin-4-yl)methyl]-2-methoxyphenol is sourced from PubChem (CID 150058857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).