1-[2-(1-benzofuran-2-yl)quinazolin-4-yl]-N'-methylpropane-1,3-diamine;dihydrochloride

C20H22Cl2N4O — CID 69073914

IUPAC1-[2-(1-benzofuran-2-yl)quinazolin-4-yl]-N'-methylpropane-1,3-diamine;dihydrochloride
SMILESCNCCC(N)c1nc(-c2cc3ccccc3o2)nc2ccccc12.Cl.Cl
InChIInChI=1S/C20H20N4O.2ClH/c1-22-11-10-15(21)19-14-7-3-4-8-16(14)23-20(24-19)18-12-13-6-2-5-9-17(13)25-18;;/h2-9,12,15,22H,10-11,21H2,1H3;2*1H
InChIKeyKDPAMBUQMZIOOK-UHFFFAOYSA-N
MW405.33 g/mol
LogP4.50
Rot. Bonds5

About 1-[2-(1-benzofuran-2-yl)quinazolin-4-yl]-N'-methylpropane-1,3-diamine;dihydrochloride

1-[2-(1-benzofuran-2-yl)quinazolin-4-yl]-N'-methylpropane-1,3-diamine;dihydrochloride (PubChem CID 69073914) has the molecular formula C20H22Cl2N4O and a molecular weight of 405.33 g/mol. Its IUPAC name is 1-[2-(1-benzofuran-2-yl)quinazolin-4-yl]-N'-methylpropane-1,3-diamine;dihydrochloride.

Molecular Properties

Compound Name1-[2-(1-benzofuran-2-yl)quinazolin-4-yl]-N'-methylpropane-1,3-diamine;dihydrochloride
PubChem CID69073914
Molecular FormulaC20H22Cl2N4O
Molecular Weight405.33 g/mol
Exact Mass404.12
IUPAC Name1-[2-(1-benzofuran-2-yl)quinazolin-4-yl]-N'-methylpropane-1,3-diamine;dihydrochloride
SMILESCNCCC(N)c1nc(-c2cc3ccccc3o2)nc2ccccc12.Cl.Cl
InChIInChI=1S/C20H20N4O.2ClH/c1-22-11-10-15(21)19-14-7-3-4-8-16(14)23-20(24-19)18-12-13-6-2-5-9-17(13)25-18;;/h2-9,12,15,22H,10-11,21H2,1H3;2*1H
InChIKeyKDPAMBUQMZIOOK-UHFFFAOYSA-N
XLogP4.50
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(1-benzofuran-2-yl)quinazolin-4-yl]-N'-ethylpropane-1,3-diamine;dihydrochloride
CID 69064950
1-[2-(1-benzofuran-2-yl)-6-methoxyquinazolin-4-yl]-N,N-dimethylpropane-1,3-diamine;hydrochloride
CID 161001417
N'-[2-(1-benzofuran-2-yl)quinazolin-4-yl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 140545004
2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 62543895
1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 63091296
N',N'-dimethyl-N-[2-(5-methyl-1-benzofuran-2-yl)quinazolin-4-yl]propane-1,3-diamine;dihydrochloride
CID 69072865
2-(1-benzofuran-2-yl)-4-N-[3-(dimethylamino)propyl]quinazoline-4,8-diamine;dihydrochloride
CID 69065347
N-[2-(1-benzofuran-2-yl)-6-methoxyquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 24873093
N-[2-(1-benzofuran-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 91938175
N-[2-(5-bromo-1-benzofuran-2-yl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 24871817
2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine
CID 176645637
N-[2-(1-benzofuran-2-yl)pyrido[3,4-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
CID 69071862

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzofuran-2-yl)quinazolin-4-yl]-N'-methylpropane-1,3-diamine;dihydrochloride?
The IUPAC name of 1-[2-(1-benzofuran-2-yl)quinazolin-4-yl]-N'-methylpropane-1,3-diamine;dihydrochloride (CID 69073914) is 1-[2-(1-benzofuran-2-yl)quinazolin-4-yl]-N'-methylpropane-1,3-diamine;dihydrochloride.
What is the SMILES notation for 1-[2-(1-benzofuran-2-yl)quinazolin-4-yl]-N'-methylpropane-1,3-diamine;dihydrochloride?
The canonical SMILES for 1-[2-(1-benzofuran-2-yl)quinazolin-4-yl]-N'-methylpropane-1,3-diamine;dihydrochloride is CNCCC(N)c1nc(-c2cc3ccccc3o2)nc2ccccc12.Cl.Cl.
What is the InChIKey of 1-[2-(1-benzofuran-2-yl)quinazolin-4-yl]-N'-methylpropane-1,3-diamine;dihydrochloride?
The InChIKey is KDPAMBUQMZIOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O.2ClH/c1-22-11-10-15(21)19-14-7-3-4-8-16(14)23-20(24-19)18-12-13-6-2-5-9-17(13)25-18;;/h2-9,12,15,22H,10-11,21H2,1H3;2*1H.
What are the key properties of 1-[2-(1-benzofuran-2-yl)quinazolin-4-yl]-N'-methylpropane-1,3-diamine;dihydrochloride?
1-[2-(1-benzofuran-2-yl)quinazolin-4-yl]-N'-methylpropane-1,3-diamine;dihydrochloride has a molecular weight of 405.33 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzofuran-2-yl)quinazolin-4-yl]-N'-methylpropane-1,3-diamine;dihydrochloride is sourced from PubChem (CID 69073914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).