N-[2-(1H-indol-2-yl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine

C21H23N5 — CID 24871941

IUPACN-[2-(1H-indol-2-yl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1nc(-c2cc3ccccc3[nH]2)nc2ccccc12
InChIInChI=1S/C21H23N5/c1-26(2)13-7-12-22-20-16-9-4-6-11-18(16)24-21(25-20)19-14-15-8-3-5-10-17(15)23-19/h3-6,8-11,14,23H,7,12-13H2,1-2H3,(H,22,24,25)
InChIKeyTUDBLFNBEBPPHA-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.14
Rot. Bonds6

About N-[2-(1H-indol-2-yl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine

N-[2-(1H-indol-2-yl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 24871941) has the molecular formula C21H23N5 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[2-(1H-indol-2-yl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[2-(1H-indol-2-yl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID24871941
Molecular FormulaC21H23N5
Molecular Weight345.45 g/mol
Exact Mass345.20
IUPAC NameN-[2-(1H-indol-2-yl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1nc(-c2cc3ccccc3[nH]2)nc2ccccc12
InChIInChI=1S/C21H23N5/c1-26(2)13-7-12-22-20-16-9-4-6-11-18(16)24-21(25-20)19-14-15-8-3-5-10-17(15)23-19/h3-6,8-11,14,23H,7,12-13H2,1-2H3,(H,22,24,25)
InChIKeyTUDBLFNBEBPPHA-UHFFFAOYSA-N
XLogP4.14
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(1H-indol-2-yl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[2-(1H-indol-2-yl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine (CID 24871941) is N-[2-(1H-indol-2-yl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[2-(1H-indol-2-yl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[2-(1H-indol-2-yl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNc1nc(-c2cc3ccccc3[nH]2)nc2ccccc12.
What is the InChIKey of N-[2-(1H-indol-2-yl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is TUDBLFNBEBPPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5/c1-26(2)13-7-12-22-20-16-9-4-6-11-18(16)24-21(25-20)19-14-15-8-3-5-10-17(15)23-19/h3-6,8-11,14,23H,7,12-13H2,1-2H3,(H,22,24,25).
What are the key properties of N-[2-(1H-indol-2-yl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
N-[2-(1H-indol-2-yl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 345.45 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-2-yl)quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 24871941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).