N-[6,7-dimethoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine

C24H32N6O2 — CID 11774935

IUPACN-[6,7-dimethoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1cc2nc(N3CCN(c4ccccc4)CC3)nc(NCCN(C)C)c2cc1OC
InChIInChI=1S/C24H32N6O2/c1-28(2)11-10-25-23-19-16-21(31-3)22(32-4)17-20(19)26-24(27-23)30-14-12-29(13-15-30)18-8-6-5-7-9-18/h5-9,16-17H,10-15H2,1-4H3,(H,25,26,27)
InChIKeyNRDOWTUUBQCUMC-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.95
Rot. Bonds8

About N-[6,7-dimethoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine

N-[6,7-dimethoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 11774935) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[6,7-dimethoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[6,7-dimethoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID11774935
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC NameN-[6,7-dimethoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1cc2nc(N3CCN(c4ccccc4)CC3)nc(NCCN(C)C)c2cc1OC
InChIInChI=1S/C24H32N6O2/c1-28(2)11-10-25-23-19-16-21(31-3)22(32-4)17-20(19)26-24(27-23)30-14-12-29(13-15-30)18-8-6-5-7-9-18/h5-9,16-17H,10-15H2,1-4H3,(H,25,26,27)
InChIKeyNRDOWTUUBQCUMC-UHFFFAOYSA-N
XLogP2.95
TPSA65.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6,7-dimethoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[6,7-dimethoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine (CID 11774935) is N-[6,7-dimethoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[6,7-dimethoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[6,7-dimethoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine is COc1cc2nc(N3CCN(c4ccccc4)CC3)nc(NCCN(C)C)c2cc1OC.
What is the InChIKey of N-[6,7-dimethoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is NRDOWTUUBQCUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-28(2)11-10-25-23-19-16-21(31-3)22(32-4)17-20(19)26-24(27-23)30-14-12-29(13-15-30)18-8-6-5-7-9-18/h5-9,16-17H,10-15H2,1-4H3,(H,25,26,27).
What are the key properties of N-[6,7-dimethoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
N-[6,7-dimethoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 436.56 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,7-dimethoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 11774935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).