3-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4H-quinazolin-2-amine;hydrochloride

C17H18ClN3O — CID 68554641

IUPAC3-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4H-quinazolin-2-amine;hydrochloride
SMILESCl.NC1=Nc2ccccc2CN1Cc1cccc2c1OCC2
InChIInChI=1S/C17H17N3O.ClH/c18-17-19-15-7-2-1-4-13(15)10-20(17)11-14-6-3-5-12-8-9-21-16(12)14;/h1-7H,8-11H2,(H2,18,19);1H
InChIKeyADPMRZVNPBUOKY-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.01
Rot. Bonds2

About 3-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4H-quinazolin-2-amine;hydrochloride

3-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4H-quinazolin-2-amine;hydrochloride (PubChem CID 68554641) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4H-quinazolin-2-amine;hydrochloride.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4H-quinazolin-2-amine;hydrochloride
PubChem CID68554641
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC Name3-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4H-quinazolin-2-amine;hydrochloride
SMILESCl.NC1=Nc2ccccc2CN1Cc1cccc2c1OCC2
InChIInChI=1S/C17H17N3O.ClH/c18-17-19-15-7-2-1-4-13(15)10-20(17)11-14-6-3-5-12-8-9-21-16(12)14;/h1-7H,8-11H2,(H2,18,19);1H
InChIKeyADPMRZVNPBUOKY-UHFFFAOYSA-N
XLogP3.01
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4H-quinazolin-2-amine;hydrochloride?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4H-quinazolin-2-amine;hydrochloride (CID 68554641) is 3-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4H-quinazolin-2-amine;hydrochloride.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4H-quinazolin-2-amine;hydrochloride?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4H-quinazolin-2-amine;hydrochloride is Cl.NC1=Nc2ccccc2CN1Cc1cccc2c1OCC2.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4H-quinazolin-2-amine;hydrochloride?
The InChIKey is ADPMRZVNPBUOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O.ClH/c18-17-19-15-7-2-1-4-13(15)10-20(17)11-14-6-3-5-12-8-9-21-16(12)14;/h1-7H,8-11H2,(H2,18,19);1H.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4H-quinazolin-2-amine;hydrochloride?
3-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4H-quinazolin-2-amine;hydrochloride has a molecular weight of 315.80 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4H-quinazolin-2-amine;hydrochloride is sourced from PubChem (CID 68554641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).