N',N'-dimethyl-N-[2-(1-methylindol-2-yl)quinazolin-4-yl]propane-1,3-diamine;dihydrochloride

C22H27Cl2N5 — CID 69071537

IUPACN',N'-dimethyl-N-[2-(1-methylindol-2-yl)quinazolin-4-yl]propane-1,3-diamine;dihydrochloride
SMILESCN(C)CCCNc1nc(-c2cc3ccccc3n2C)nc2ccccc12.Cl.Cl
InChIInChI=1S/C22H25N5.2ClH/c1-26(2)14-8-13-23-21-17-10-5-6-11-18(17)24-22(25-21)20-15-16-9-4-7-12-19(16)27(20)3;;/h4-7,9-12,15H,8,13-14H2,1-3H3,(H,23,24,25);2*1H
InChIKeyUWPNYSIEKUTXHD-UHFFFAOYSA-N
MW432.40 g/mol
LogP5.00
Rot. Bonds6

About N',N'-dimethyl-N-[2-(1-methylindol-2-yl)quinazolin-4-yl]propane-1,3-diamine;dihydrochloride

N',N'-dimethyl-N-[2-(1-methylindol-2-yl)quinazolin-4-yl]propane-1,3-diamine;dihydrochloride (PubChem CID 69071537) has the molecular formula C22H27Cl2N5 and a molecular weight of 432.40 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-(1-methylindol-2-yl)quinazolin-4-yl]propane-1,3-diamine;dihydrochloride.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-(1-methylindol-2-yl)quinazolin-4-yl]propane-1,3-diamine;dihydrochloride
PubChem CID69071537
Molecular FormulaC22H27Cl2N5
Molecular Weight432.40 g/mol
Exact Mass431.16
IUPAC NameN',N'-dimethyl-N-[2-(1-methylindol-2-yl)quinazolin-4-yl]propane-1,3-diamine;dihydrochloride
SMILESCN(C)CCCNc1nc(-c2cc3ccccc3n2C)nc2ccccc12.Cl.Cl
InChIInChI=1S/C22H25N5.2ClH/c1-26(2)14-8-13-23-21-17-10-5-6-11-18(17)24-22(25-21)20-15-16-9-4-7-12-19(16)27(20)3;;/h4-7,9-12,15H,8,13-14H2,1-3H3,(H,23,24,25);2*1H
InChIKeyUWPNYSIEKUTXHD-UHFFFAOYSA-N
XLogP5.00
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N',N'-dimethyl-N-[2-(1-methylindol-2-yl)quinazolin-4-yl]propane-1,3-diamine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N',N'-dimethyl-N-[2-(1H-pyrrol-3-yl)quinazolin-4-yl]propane-1,3-diamine
CID 156820936
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-(5-bromo-1-benzofuran-2-yl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 24871817
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)-7-fluoroquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
CID 69069935
N',N'-dimethyl-N-[2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-yl]propane-1,3-diamine
CID 121453113
N-[2-(1-benzofuran-2-yl)-7-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 24873212
N-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine;hydrochloride
CID 18593626
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',N'-dimethyl-N-[3-(2-phenylethenyl)isoquinolin-1-yl]propane-1,3-diamine
CID 58017063

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[2-(1-methylindol-2-yl)quinazolin-4-yl]propane-1,3-diamine;dihydrochloride?
The IUPAC name of N',N'-dimethyl-N-[2-(1-methylindol-2-yl)quinazolin-4-yl]propane-1,3-diamine;dihydrochloride (CID 69071537) is N',N'-dimethyl-N-[2-(1-methylindol-2-yl)quinazolin-4-yl]propane-1,3-diamine;dihydrochloride.
What is the SMILES notation for N',N'-dimethyl-N-[2-(1-methylindol-2-yl)quinazolin-4-yl]propane-1,3-diamine;dihydrochloride?
The canonical SMILES for N',N'-dimethyl-N-[2-(1-methylindol-2-yl)quinazolin-4-yl]propane-1,3-diamine;dihydrochloride is CN(C)CCCNc1nc(-c2cc3ccccc3n2C)nc2ccccc12.Cl.Cl.
What is the InChIKey of N',N'-dimethyl-N-[2-(1-methylindol-2-yl)quinazolin-4-yl]propane-1,3-diamine;dihydrochloride?
The InChIKey is UWPNYSIEKUTXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5.2ClH/c1-26(2)14-8-13-23-21-17-10-5-6-11-18(17)24-22(25-21)20-15-16-9-4-7-12-19(16)27(20)3;;/h4-7,9-12,15H,8,13-14H2,1-3H3,(H,23,24,25);2*1H.
What are the key properties of N',N'-dimethyl-N-[2-(1-methylindol-2-yl)quinazolin-4-yl]propane-1,3-diamine;dihydrochloride?
N',N'-dimethyl-N-[2-(1-methylindol-2-yl)quinazolin-4-yl]propane-1,3-diamine;dihydrochloride has a molecular weight of 432.40 g/mol, XLogP of 5.00, 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-[2-(1-methylindol-2-yl)quinazolin-4-yl]propane-1,3-diamine;dihydrochloride is sourced from PubChem (CID 69071537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).