N',N'-dimethyl-N-[8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinazolin-4-yl]propane-1,3-diamine

C23H26N4O — CID 24871938

IUPACN',N'-dimethyl-N-[8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinazolin-4-yl]propane-1,3-diamine
SMILESCc1c(-c2nc(NCCCN(C)C)c3cccc(C)c3n2)oc2ccccc12
InChIInChI=1S/C23H26N4O/c1-15-9-7-11-18-20(15)25-23(26-22(18)24-13-8-14-27(3)4)21-16(2)17-10-5-6-12-19(17)28-21/h5-7,9-12H,8,13-14H2,1-4H3,(H,24,25,26)
InChIKeyLJYMDIDFUGJVRO-UHFFFAOYSA-N
MW374.49 g/mol
LogP5.02
Rot. Bonds6

About N',N'-dimethyl-N-[8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinazolin-4-yl]propane-1,3-diamine

N',N'-dimethyl-N-[8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinazolin-4-yl]propane-1,3-diamine (PubChem CID 24871938) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N',N'-dimethyl-N-[8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinazolin-4-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinazolin-4-yl]propane-1,3-diamine
PubChem CID24871938
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN',N'-dimethyl-N-[8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinazolin-4-yl]propane-1,3-diamine
SMILESCc1c(-c2nc(NCCCN(C)C)c3cccc(C)c3n2)oc2ccccc12
InChIInChI=1S/C23H26N4O/c1-15-9-7-11-18-20(15)25-23(26-22(18)24-13-8-14-27(3)4)21-16(2)17-10-5-6-12-19(17)28-21/h5-7,9-12H,8,13-14H2,1-4H3,(H,24,25,26)
InChIKeyLJYMDIDFUGJVRO-UHFFFAOYSA-N
XLogP5.02
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 55.02
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

2-(1-benzofuran-2-yl)-4-N-[3-(dimethylamino)propyl]quinazoline-4,8-diamine;dihydrochloride
CID 69065347
N-[2-(1-benzyl-7-chloroindazol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 121402759
N-[2-[3-chloro-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 121402780
N-[2-(1-benzyl-6,7-dichloroindol-3-yl)-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 121402817
N,N-dimethyl-4-[2-(3-methyl-1-benzofuran-2-yl)quinazolin-4-yl]oxybutan-1-amine
CID 162661472
N-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 8005233
N-[2-[3-(4,5-dihydro-1,3-thiazol-2-yl)-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 121405617
N-[2-[4-chloro-3-[(4-chlorophenyl)methyl]-3H-inden-1-yl]-8-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 121402719
N-[2-(1-benzofuran-2-yl)-7-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 24873212
N',N'-dimethyl-N-[2-(5-methyl-1-benzofuran-2-yl)quinazolin-4-yl]propane-1,3-diamine;dihydrochloride
CID 69072865
N',N'-dimethyl-N-(2-thiophen-3-ylquinazolin-4-yl)propane-1,3-diamine
CID 156820966
N-[2-(1-benzyl-7-chloroindol-3-yl)-8-chloroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 145099381

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinazolin-4-yl]propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-[8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinazolin-4-yl]propane-1,3-diamine (CID 24871938) is N',N'-dimethyl-N-[8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinazolin-4-yl]propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinazolin-4-yl]propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-[8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinazolin-4-yl]propane-1,3-diamine is Cc1c(-c2nc(NCCCN(C)C)c3cccc(C)c3n2)oc2ccccc12.
What is the InChIKey of N',N'-dimethyl-N-[8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinazolin-4-yl]propane-1,3-diamine?
The InChIKey is LJYMDIDFUGJVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-15-9-7-11-18-20(15)25-23(26-22(18)24-13-8-14-27(3)4)21-16(2)17-10-5-6-12-19(17)28-21/h5-7,9-12H,8,13-14H2,1-4H3,(H,24,25,26).
What are the key properties of N',N'-dimethyl-N-[8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinazolin-4-yl]propane-1,3-diamine?
N',N'-dimethyl-N-[8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinazolin-4-yl]propane-1,3-diamine has a molecular weight of 374.49 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinazolin-4-yl]propane-1,3-diamine is sourced from PubChem (CID 24871938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).