N-benzyl-6,7,8-trimethoxyquinazolin-4-amine

C18H19N3O3 — CID 18796773

IUPACN-benzyl-6,7,8-trimethoxyquinazolin-4-amine
SMILESCOc1cc2c(NCc3ccccc3)ncnc2c(OC)c1OC
InChIInChI=1S/C18H19N3O3/c1-22-14-9-13-15(17(24-3)16(14)23-2)20-11-21-18(13)19-10-12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3,(H,19,20,21)
InChIKeyZGIXGZXRVWEURP-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.27
Rot. Bonds6

About N-benzyl-6,7,8-trimethoxyquinazolin-4-amine

N-benzyl-6,7,8-trimethoxyquinazolin-4-amine (PubChem CID 18796773) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-benzyl-6,7,8-trimethoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-6,7,8-trimethoxyquinazolin-4-amine
PubChem CID18796773
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-benzyl-6,7,8-trimethoxyquinazolin-4-amine
SMILESCOc1cc2c(NCc3ccccc3)ncnc2c(OC)c1OC
InChIInChI=1S/C18H19N3O3/c1-22-14-9-13-15(17(24-3)16(14)23-2)20-11-21-18(13)19-10-12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3,(H,19,20,21)
InChIKeyZGIXGZXRVWEURP-UHFFFAOYSA-N
XLogP3.27
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chlorophenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine
CID 11710213
6,7,8-trimethoxy-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine
CID 18796791
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
5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentanoic acid
CID 19605807
6-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine
CID 70854812
N-benzyl-6-iodo-7-methoxyisoquinolin-1-amine
CID 22631323
N-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine
CID 1474879
N-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 21002356
N-[2-(1H-imidazol-5-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-amine
CID 18796736
N-[(2-fluorophenyl)methyl]-7,8-dimethoxyquinazolin-4-amine
CID 110431413

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6,7,8-trimethoxyquinazolin-4-amine?
The IUPAC name of N-benzyl-6,7,8-trimethoxyquinazolin-4-amine (CID 18796773) is N-benzyl-6,7,8-trimethoxyquinazolin-4-amine.
What is the SMILES notation for N-benzyl-6,7,8-trimethoxyquinazolin-4-amine?
The canonical SMILES for N-benzyl-6,7,8-trimethoxyquinazolin-4-amine is COc1cc2c(NCc3ccccc3)ncnc2c(OC)c1OC.
What is the InChIKey of N-benzyl-6,7,8-trimethoxyquinazolin-4-amine?
The InChIKey is ZGIXGZXRVWEURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-22-14-9-13-15(17(24-3)16(14)23-2)20-11-21-18(13)19-10-12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3,(H,19,20,21).
What are the key properties of N-benzyl-6,7,8-trimethoxyquinazolin-4-amine?
N-benzyl-6,7,8-trimethoxyquinazolin-4-amine has a molecular weight of 325.37 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6,7,8-trimethoxyquinazolin-4-amine is sourced from PubChem (CID 18796773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).