4-(2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-2-amine

C18H21N3O — CID 74231844

IUPAC4-(2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCN(C)c1nc2c(c(-c3cccc4c3OCC4)n1)CCCC2
InChIInChI=1S/C18H21N3O/c1-21(2)18-19-15-9-4-3-7-13(15)16(20-18)14-8-5-6-12-10-11-22-17(12)14/h5-6,8H,3-4,7,9-11H2,1-2H3
InChIKeyFVXMOHKHDYGJGH-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.02
Rot. Bonds2

About 4-(2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-2-amine

4-(2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 74231844) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID74231844
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name4-(2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCN(C)c1nc2c(c(-c3cccc4c3OCC4)n1)CCCC2
InChIInChI=1S/C18H21N3O/c1-21(2)18-19-15-9-4-3-7-13(15)16(20-18)14-8-5-6-12-10-11-22-17(12)14/h5-6,8H,3-4,7,9-11H2,1-2H3
InChIKeyFVXMOHKHDYGJGH-UHFFFAOYSA-N
XLogP3.02
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-2-amine (CID 74231844) is 4-(2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-2-amine is CN(C)c1nc2c(c(-c3cccc4c3OCC4)n1)CCCC2.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is FVXMOHKHDYGJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-21(2)18-19-15-9-4-3-7-13(15)16(20-18)14-8-5-6-12-10-11-22-17(12)14/h5-6,8H,3-4,7,9-11H2,1-2H3.
What are the key properties of 4-(2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-2-amine?
4-(2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 295.39 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 74231844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).