6-methoxy-N,N-dimethyl-7-phenylmethoxy-4-piperazin-1-ylquinazolin-2-amine

C22H27N5O2 — CID 130454358

IUPAC6-methoxy-N,N-dimethyl-7-phenylmethoxy-4-piperazin-1-ylquinazolin-2-amine
SMILESCOc1cc2c(N3CCNCC3)nc(N(C)C)nc2cc1OCc1ccccc1
InChIInChI=1S/C22H27N5O2/c1-26(2)22-24-18-14-20(29-15-16-7-5-4-6-8-16)19(28-3)13-17(18)21(25-22)27-11-9-23-10-12-27/h4-8,13-14,23H,9-12,15H2,1-3H3
InChIKeyWWSUUCMGJORTRW-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.69
Rot. Bonds6

About 6-methoxy-N,N-dimethyl-7-phenylmethoxy-4-piperazin-1-ylquinazolin-2-amine

6-methoxy-N,N-dimethyl-7-phenylmethoxy-4-piperazin-1-ylquinazolin-2-amine (PubChem CID 130454358) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 6-methoxy-N,N-dimethyl-7-phenylmethoxy-4-piperazin-1-ylquinazolin-2-amine.

Molecular Properties

Compound Name6-methoxy-N,N-dimethyl-7-phenylmethoxy-4-piperazin-1-ylquinazolin-2-amine
PubChem CID130454358
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name6-methoxy-N,N-dimethyl-7-phenylmethoxy-4-piperazin-1-ylquinazolin-2-amine
SMILESCOc1cc2c(N3CCNCC3)nc(N(C)C)nc2cc1OCc1ccccc1
InChIInChI=1S/C22H27N5O2/c1-26(2)22-24-18-14-20(29-15-16-7-5-4-6-8-16)19(28-3)13-17(18)21(25-22)27-11-9-23-10-12-27/h4-8,13-14,23H,9-12,15H2,1-3H3
InChIKeyWWSUUCMGJORTRW-UHFFFAOYSA-N
XLogP2.69
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N,N-dimethyl-7-phenylmethoxy-4-piperazin-1-ylquinazolin-2-amine?
The IUPAC name of 6-methoxy-N,N-dimethyl-7-phenylmethoxy-4-piperazin-1-ylquinazolin-2-amine (CID 130454358) is 6-methoxy-N,N-dimethyl-7-phenylmethoxy-4-piperazin-1-ylquinazolin-2-amine.
What is the SMILES notation for 6-methoxy-N,N-dimethyl-7-phenylmethoxy-4-piperazin-1-ylquinazolin-2-amine?
The canonical SMILES for 6-methoxy-N,N-dimethyl-7-phenylmethoxy-4-piperazin-1-ylquinazolin-2-amine is COc1cc2c(N3CCNCC3)nc(N(C)C)nc2cc1OCc1ccccc1.
What is the InChIKey of 6-methoxy-N,N-dimethyl-7-phenylmethoxy-4-piperazin-1-ylquinazolin-2-amine?
The InChIKey is WWSUUCMGJORTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-26(2)22-24-18-14-20(29-15-16-7-5-4-6-8-16)19(28-3)13-17(18)21(25-22)27-11-9-23-10-12-27/h4-8,13-14,23H,9-12,15H2,1-3H3.
What are the key properties of 6-methoxy-N,N-dimethyl-7-phenylmethoxy-4-piperazin-1-ylquinazolin-2-amine?
6-methoxy-N,N-dimethyl-7-phenylmethoxy-4-piperazin-1-ylquinazolin-2-amine has a molecular weight of 393.49 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N,N-dimethyl-7-phenylmethoxy-4-piperazin-1-ylquinazolin-2-amine is sourced from PubChem (CID 130454358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).