2-[3-[1-(dimethylamino)ethyl]phenyl]-6,7-dimethoxyquinazolin-4-amine

C20H24N4O2 — CID 74239658

IUPAC2-[3-[1-(dimethylamino)ethyl]phenyl]-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2nc(-c3cccc(C(C)N(C)C)c3)nc(N)c2cc1OC
InChIInChI=1S/C20H24N4O2/c1-12(24(2)3)13-7-6-8-14(9-13)20-22-16-11-18(26-5)17(25-4)10-15(16)19(21)23-20/h6-12H,1-5H3,(H2,21,22,23)
InChIKeyFOQATOMMTLFGNK-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.52
Rot. Bonds5

About 2-[3-[1-(dimethylamino)ethyl]phenyl]-6,7-dimethoxyquinazolin-4-amine

2-[3-[1-(dimethylamino)ethyl]phenyl]-6,7-dimethoxyquinazolin-4-amine (PubChem CID 74239658) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-[3-[1-(dimethylamino)ethyl]phenyl]-6,7-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound Name2-[3-[1-(dimethylamino)ethyl]phenyl]-6,7-dimethoxyquinazolin-4-amine
PubChem CID74239658
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name2-[3-[1-(dimethylamino)ethyl]phenyl]-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2nc(-c3cccc(C(C)N(C)C)c3)nc(N)c2cc1OC
InChIInChI=1S/C20H24N4O2/c1-12(24(2)3)13-7-6-8-14(9-13)20-22-16-11-18(26-5)17(25-4)10-15(16)19(21)23-20/h6-12H,1-5H3,(H2,21,22,23)
InChIKeyFOQATOMMTLFGNK-UHFFFAOYSA-N
XLogP3.52
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(dimethylamino)ethyl]phenyl]-6,7-dimethoxyquinazolin-4-amine?
The IUPAC name of 2-[3-[1-(dimethylamino)ethyl]phenyl]-6,7-dimethoxyquinazolin-4-amine (CID 74239658) is 2-[3-[1-(dimethylamino)ethyl]phenyl]-6,7-dimethoxyquinazolin-4-amine.
What is the SMILES notation for 2-[3-[1-(dimethylamino)ethyl]phenyl]-6,7-dimethoxyquinazolin-4-amine?
The canonical SMILES for 2-[3-[1-(dimethylamino)ethyl]phenyl]-6,7-dimethoxyquinazolin-4-amine is COc1cc2nc(-c3cccc(C(C)N(C)C)c3)nc(N)c2cc1OC.
What is the InChIKey of 2-[3-[1-(dimethylamino)ethyl]phenyl]-6,7-dimethoxyquinazolin-4-amine?
The InChIKey is FOQATOMMTLFGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-12(24(2)3)13-7-6-8-14(9-13)20-22-16-11-18(26-5)17(25-4)10-15(16)19(21)23-20/h6-12H,1-5H3,(H2,21,22,23).
What are the key properties of 2-[3-[1-(dimethylamino)ethyl]phenyl]-6,7-dimethoxyquinazolin-4-amine?
2-[3-[1-(dimethylamino)ethyl]phenyl]-6,7-dimethoxyquinazolin-4-amine has a molecular weight of 352.44 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(dimethylamino)ethyl]phenyl]-6,7-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 74239658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).