N-[2-(1-benzofuran-2-yl)-7-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine

C22H24N4O — CID 24873212

IUPACN-[2-(1-benzofuran-2-yl)-7-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCc1ccc2c(NCCCN(C)C)nc(-c3cc4ccccc4o3)nc2c1
InChIInChI=1S/C22H24N4O/c1-15-9-10-17-18(13-15)24-22(25-21(17)23-11-6-12-26(2)3)20-14-16-7-4-5-8-19(16)27-20/h4-5,7-10,13-14H,6,11-12H2,1-3H3,(H,23,24,25)
InChIKeyPOADEWOLXFCYQA-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.72
Rot. Bonds6

About N-[2-(1-benzofuran-2-yl)-7-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine

N-[2-(1-benzofuran-2-yl)-7-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 24873212) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[2-(1-benzofuran-2-yl)-7-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[2-(1-benzofuran-2-yl)-7-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID24873212
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-[2-(1-benzofuran-2-yl)-7-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCc1ccc2c(NCCCN(C)C)nc(-c3cc4ccccc4o3)nc2c1
InChIInChI=1S/C22H24N4O/c1-15-9-10-17-18(13-15)24-22(25-21(17)23-11-6-12-26(2)3)20-14-16-7-4-5-8-19(16)27-20/h4-5,7-10,13-14H,6,11-12H2,1-3H3,(H,23,24,25)
InChIKeyPOADEWOLXFCYQA-UHFFFAOYSA-N
XLogP4.72
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.72
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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Related Compounds

N-[2-(1-benzofuran-2-yl)-7-fluoroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
CID 69069935
N',N'-dimethyl-N-[2-(5-methyl-1-benzofuran-2-yl)quinazolin-4-yl]propane-1,3-diamine;dihydrochloride
CID 69072865
N-[2-(1-benzofuran-2-yl)pyrido[3,4-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
CID 69071862
N-[2-(1-benzofuran-2-yl)-6-methoxyquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 24873093
2-(1-benzofuran-2-yl)-4-N-[3-(dimethylamino)propyl]quinazoline-4,8-diamine;dihydrochloride
CID 69065347
N-[2-(5-bromo-1-benzofuran-2-yl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 24871817
N'-[2-(1-benzofuran-2-yl)quinazolin-4-yl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 140545004
N',N'-dimethyl-N-[2-(1-methylindol-2-yl)quinazolin-4-yl]propane-1,3-diamine;dihydrochloride
CID 69071537
N',N'-dimethyl-N-[2-(1H-pyrrol-3-yl)quinazolin-4-yl]propane-1,3-diamine
CID 156820936
N',N'-dimethyl-N-[8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinazolin-4-yl]propane-1,3-diamine
CID 24871938
N',N'-dimethyl-N-(2-thiophen-3-ylquinazolin-4-yl)propane-1,3-diamine
CID 156820966
N-[2-(1-benzofuran-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 91938175

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzofuran-2-yl)-7-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[2-(1-benzofuran-2-yl)-7-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine (CID 24873212) is N-[2-(1-benzofuran-2-yl)-7-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[2-(1-benzofuran-2-yl)-7-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[2-(1-benzofuran-2-yl)-7-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine is Cc1ccc2c(NCCCN(C)C)nc(-c3cc4ccccc4o3)nc2c1.
What is the InChIKey of N-[2-(1-benzofuran-2-yl)-7-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is POADEWOLXFCYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15-9-10-17-18(13-15)24-22(25-21(17)23-11-6-12-26(2)3)20-14-16-7-4-5-8-19(16)27-20/h4-5,7-10,13-14H,6,11-12H2,1-3H3,(H,23,24,25).
What are the key properties of N-[2-(1-benzofuran-2-yl)-7-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
N-[2-(1-benzofuran-2-yl)-7-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 360.46 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzofuran-2-yl)-7-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 24873212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).