4-[6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]morpholine

C19H27N5O3 — CID 139592902

IUPAC4-[6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]morpholine
SMILESCOc1cc2nc(N3CCN(C)CC3)nc(N3CCOCC3)c2cc1OC
InChIInChI=1S/C19H27N5O3/c1-22-4-6-24(7-5-22)19-20-15-13-17(26-3)16(25-2)12-14(15)18(21-19)23-8-10-27-11-9-23/h12-13H,4-11H2,1-3H3
InChIKeyPNJHFISSUNQFLX-UHFFFAOYSA-N
MW373.46 g/mol
LogP1.24
Rot. Bonds4

About 4-[6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]morpholine

4-[6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]morpholine (PubChem CID 139592902) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-[6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]morpholine
PubChem CID139592902
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name4-[6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]morpholine
SMILESCOc1cc2nc(N3CCN(C)CC3)nc(N3CCOCC3)c2cc1OC
InChIInChI=1S/C19H27N5O3/c1-22-4-6-24(7-5-22)19-20-15-13-17(26-3)16(25-2)12-14(15)18(21-19)23-8-10-27-11-9-23/h12-13H,4-11H2,1-3H3
InChIKeyPNJHFISSUNQFLX-UHFFFAOYSA-N
XLogP1.24
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]morpholine?
The IUPAC name of 4-[6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]morpholine (CID 139592902) is 4-[6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]morpholine.
What is the SMILES notation for 4-[6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]morpholine?
The canonical SMILES for 4-[6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]morpholine is COc1cc2nc(N3CCN(C)CC3)nc(N3CCOCC3)c2cc1OC.
What is the InChIKey of 4-[6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]morpholine?
The InChIKey is PNJHFISSUNQFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-22-4-6-24(7-5-22)19-20-15-13-17(26-3)16(25-2)12-14(15)18(21-19)23-8-10-27-11-9-23/h12-13H,4-11H2,1-3H3.
What are the key properties of 4-[6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]morpholine?
4-[6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]morpholine has a molecular weight of 373.46 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]morpholine is sourced from PubChem (CID 139592902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).