6,7,8-trimethoxy-N,N-dimethylquinazolin-4-amine

C13H17N3O3 — CID 110433384

IUPAC6,7,8-trimethoxy-N,N-dimethylquinazolin-4-amine
SMILESCOc1cc2c(N(C)C)ncnc2c(OC)c1OC
InChIInChI=1S/C13H17N3O3/c1-16(2)13-8-6-9(17-3)11(18-4)12(19-5)10(8)14-7-15-13/h6-7H,1-5H3
InChIKeyMFTYHIRQOCLOFR-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.72
Rot. Bonds4

About 6,7,8-trimethoxy-N,N-dimethylquinazolin-4-amine

6,7,8-trimethoxy-N,N-dimethylquinazolin-4-amine (PubChem CID 110433384) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 6,7,8-trimethoxy-N,N-dimethylquinazolin-4-amine.

Molecular Properties

Compound Name6,7,8-trimethoxy-N,N-dimethylquinazolin-4-amine
PubChem CID110433384
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name6,7,8-trimethoxy-N,N-dimethylquinazolin-4-amine
SMILESCOc1cc2c(N(C)C)ncnc2c(OC)c1OC
InChIInChI=1S/C13H17N3O3/c1-16(2)13-8-6-9(17-3)11(18-4)12(19-5)10(8)14-7-15-13/h6-7H,1-5H3
InChIKeyMFTYHIRQOCLOFR-UHFFFAOYSA-N
XLogP1.72
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-hydroxyethyl-(6,7,8-trimethoxyquinazolin-4-yl)amino]ethanol
CID 110433388
6,7,8-trimethoxy-4-methylquinazoline
CID 70672853
4-(azepan-1-yl)-6,7,8-trimethoxyquinazoline
CID 110433392
4-(3,5-dimethylpiperidin-1-yl)-6,7,8-trimethoxyquinazoline
CID 110433380
N-(4-bromo-2-chlorophenyl)-6,7,8-trimethoxyquinazolin-4-amine
CID 24767185
6,7-bis(2-methoxyethoxy)-N,N-dimethylquinazolin-4-amine
CID 149497994
N-benzyl-6,7,8-trimethoxyquinazolin-4-amine
CID 18796773
N-[(4-chlorophenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine
CID 11710213
4-(benzimidazol-1-yl)-6,7,8-trimethoxyquinazoline
CID 110435786
4-ethyl-1-(6,7,8-trimethoxyquinazolin-4-yl)piperidin-4-ol
CID 86202989
5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentanoic acid
CID 19605807
3-methoxy-N'-(6,7,8-trimethoxyquinazolin-4-yl)propanehydrazide
CID 110435791

Frequently Asked Questions

What is the IUPAC name of 6,7,8-trimethoxy-N,N-dimethylquinazolin-4-amine?
The IUPAC name of 6,7,8-trimethoxy-N,N-dimethylquinazolin-4-amine (CID 110433384) is 6,7,8-trimethoxy-N,N-dimethylquinazolin-4-amine.
What is the SMILES notation for 6,7,8-trimethoxy-N,N-dimethylquinazolin-4-amine?
The canonical SMILES for 6,7,8-trimethoxy-N,N-dimethylquinazolin-4-amine is COc1cc2c(N(C)C)ncnc2c(OC)c1OC.
What is the InChIKey of 6,7,8-trimethoxy-N,N-dimethylquinazolin-4-amine?
The InChIKey is MFTYHIRQOCLOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-16(2)13-8-6-9(17-3)11(18-4)12(19-5)10(8)14-7-15-13/h6-7H,1-5H3.
What are the key properties of 6,7,8-trimethoxy-N,N-dimethylquinazolin-4-amine?
6,7,8-trimethoxy-N,N-dimethylquinazolin-4-amine has a molecular weight of 263.30 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8-trimethoxy-N,N-dimethylquinazolin-4-amine is sourced from PubChem (CID 110433384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).