4-N-benzyl-2-N-(2-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride

C22H21ClN4O — CID 2909234

IUPAC4-N-benzyl-2-N-(2-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride
SMILESCOc1ccccc1Nc1nc(NCc2ccccc2)c2ccccc2n1.Cl
InChIInChI=1S/C22H20N4O.ClH/c1-27-20-14-8-7-13-19(20)25-22-24-18-12-6-5-11-17(18)21(26-22)23-15-16-9-3-2-4-10-16;/h2-14H,15H2,1H3,(H2,23,24,25,26);1H
InChIKeyIWSFBVXBOJFBCX-UHFFFAOYSA-N
MW392.89 g/mol
LogP5.42
Rot. Bonds6

About 4-N-benzyl-2-N-(2-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride

4-N-benzyl-2-N-(2-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride (PubChem CID 2909234) has the molecular formula C22H21ClN4O and a molecular weight of 392.89 g/mol. Its IUPAC name is 4-N-benzyl-2-N-(2-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name4-N-benzyl-2-N-(2-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride
PubChem CID2909234
Molecular FormulaC22H21ClN4O
Molecular Weight392.89 g/mol
Exact Mass392.14
IUPAC Name4-N-benzyl-2-N-(2-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride
SMILESCOc1ccccc1Nc1nc(NCc2ccccc2)c2ccccc2n1.Cl
InChIInChI=1S/C22H20N4O.ClH/c1-27-20-14-8-7-13-19(20)25-22-24-18-12-6-5-11-17(18)21(26-22)23-15-16-9-3-2-4-10-16;/h2-14H,15H2,1H3,(H2,23,24,25,26);1H
InChIKeyIWSFBVXBOJFBCX-UHFFFAOYSA-N
XLogP5.42
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.89
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-(2-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride?
The IUPAC name of 4-N-benzyl-2-N-(2-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride (CID 2909234) is 4-N-benzyl-2-N-(2-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride.
What is the SMILES notation for 4-N-benzyl-2-N-(2-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride?
The canonical SMILES for 4-N-benzyl-2-N-(2-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride is COc1ccccc1Nc1nc(NCc2ccccc2)c2ccccc2n1.Cl.
What is the InChIKey of 4-N-benzyl-2-N-(2-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride?
The InChIKey is IWSFBVXBOJFBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O.ClH/c1-27-20-14-8-7-13-19(20)25-22-24-18-12-6-5-11-17(18)21(26-22)23-15-16-9-3-2-4-10-16;/h2-14H,15H2,1H3,(H2,23,24,25,26);1H.
What are the key properties of 4-N-benzyl-2-N-(2-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride?
4-N-benzyl-2-N-(2-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride has a molecular weight of 392.89 g/mol, XLogP of 5.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-(2-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride is sourced from PubChem (CID 2909234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).