N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylquinazolin-4-amine

C18H17N3O — CID 171329075

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylquinazolin-4-amine
SMILESCN(Cc1ccc2c(c1)CCO2)c1ncnc2ccccc12
InChIInChI=1S/C18H17N3O/c1-21(11-13-6-7-17-14(10-13)8-9-22-17)18-15-4-2-3-5-16(15)19-12-20-18/h2-7,10,12H,8-9,11H2,1H3
InChIKeyHIPBZJWPSQJRKM-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.20
Rot. Bonds3

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylquinazolin-4-amine

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylquinazolin-4-amine (PubChem CID 171329075) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylquinazolin-4-amine
PubChem CID171329075
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylquinazolin-4-amine
SMILESCN(Cc1ccc2c(c1)CCO2)c1ncnc2ccccc12
InChIInChI=1S/C18H17N3O/c1-21(11-13-6-7-17-14(10-13)8-9-22-17)18-15-4-2-3-5-16(15)19-12-20-18/h2-7,10,12H,8-9,11H2,1H3
InChIKeyHIPBZJWPSQJRKM-UHFFFAOYSA-N
XLogP3.20
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N,3-dimethylpyridine-2,5-diamine
CID 115147996
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpyrido[2,3-d]pyrimidin-4-amine
CID 155975046
5-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpyrimidin-2-amine
CID 171328577
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,3-dimethylimidazo[4,5-b]pyridin-2-amine
CID 171328969
N-methyl-N-[(5-methylthiophen-2-yl)methyl]quinazolin-4-amine
CID 171702612
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylquinazolin-4-amine
CID 24607854
[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol
CID 115229208
N-methyl-4-[[methyl(quinazolin-4-yl)amino]methyl]benzamide
CID 36790361
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110436403
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 86776236
2,3-dihydro-1-benzofuran-5-ylmethylazanium
CID 6932006
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine
CID 176731852

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylquinazolin-4-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylquinazolin-4-amine (CID 171329075) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylquinazolin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylquinazolin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylquinazolin-4-amine is CN(Cc1ccc2c(c1)CCO2)c1ncnc2ccccc12.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylquinazolin-4-amine?
The InChIKey is HIPBZJWPSQJRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-21(11-13-6-7-17-14(10-13)8-9-22-17)18-15-4-2-3-5-16(15)19-12-20-18/h2-7,10,12H,8-9,11H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylquinazolin-4-amine?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylquinazolin-4-amine has a molecular weight of 291.35 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylquinazolin-4-amine is sourced from PubChem (CID 171329075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).