N-[2-(4-methoxyphenyl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride

C20H25ClN4O — CID 2791333

IUPACN-[2-(4-methoxyphenyl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride
SMILESCOc1ccc(-c2nc(NCCCN(C)C)c3ccccc3n2)cc1.Cl
InChIInChI=1S/C20H24N4O.ClH/c1-24(2)14-6-13-21-20-17-7-4-5-8-18(17)22-19(23-20)15-9-11-16(25-3)12-10-15;/h4-5,7-12H,6,13-14H2,1-3H3,(H,21,22,23);1H
InChIKeyIXCLDPPQVWPQHR-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.09
Rot. Bonds7

About N-[2-(4-methoxyphenyl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride

N-[2-(4-methoxyphenyl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride (PubChem CID 2791333) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride
PubChem CID2791333
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC NameN-[2-(4-methoxyphenyl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride
SMILESCOc1ccc(-c2nc(NCCCN(C)C)c3ccccc3n2)cc1.Cl
InChIInChI=1S/C20H24N4O.ClH/c1-24(2)14-6-13-21-20-17-7-4-5-8-18(17)22-19(23-20)15-9-11-16(25-3)12-10-15;/h4-5,7-12H,6,13-14H2,1-3H3,(H,21,22,23);1H
InChIKeyIXCLDPPQVWPQHR-UHFFFAOYSA-N
XLogP4.09
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride?
The IUPAC name of N-[2-(4-methoxyphenyl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride (CID 2791333) is N-[2-(4-methoxyphenyl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride.
What is the SMILES notation for N-[2-(4-methoxyphenyl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride?
The canonical SMILES for N-[2-(4-methoxyphenyl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride is COc1ccc(-c2nc(NCCCN(C)C)c3ccccc3n2)cc1.Cl.
What is the InChIKey of N-[2-(4-methoxyphenyl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride?
The InChIKey is IXCLDPPQVWPQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O.ClH/c1-24(2)14-6-13-21-20-17-7-4-5-8-18(17)22-19(23-20)15-9-11-16(25-3)12-10-15;/h4-5,7-12H,6,13-14H2,1-3H3,(H,21,22,23);1H.
What are the key properties of N-[2-(4-methoxyphenyl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride?
N-[2-(4-methoxyphenyl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride has a molecular weight of 372.90 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride is sourced from PubChem (CID 2791333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).