6,7-dimethoxy-3-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]quinazolin-4-one

C23H25N3O5 — CID 51720774

IUPAC6,7-dimethoxy-3-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]quinazolin-4-one
SMILESCOc1cc2ncn(CCC(=O)N3CCO[C@H](c4ccccc4)C3)c(=O)c2cc1OC
InChIInChI=1S/C23H25N3O5/c1-29-19-12-17-18(13-20(19)30-2)24-15-26(23(17)28)9-8-22(27)25-10-11-31-21(14-25)16-6-4-3-5-7-16/h3-7,12-13,15,21H,8-11,14H2,1-2H3/t21-/m0/s1
InChIKeyDPVYWFAFXIJDNM-NRFANRHFSA-N
MW423.47 g/mol
LogP2.40
Rot. Bonds6

About 6,7-dimethoxy-3-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]quinazolin-4-one

6,7-dimethoxy-3-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]quinazolin-4-one (PubChem CID 51720774) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is 6,7-dimethoxy-3-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]quinazolin-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-3-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]quinazolin-4-one
PubChem CID51720774
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Name6,7-dimethoxy-3-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]quinazolin-4-one
SMILESCOc1cc2ncn(CCC(=O)N3CCO[C@H](c4ccccc4)C3)c(=O)c2cc1OC
InChIInChI=1S/C23H25N3O5/c1-29-19-12-17-18(13-20(19)30-2)24-15-26(23(17)28)9-8-22(27)25-10-11-31-21(14-25)16-6-4-3-5-7-16/h3-7,12-13,15,21H,8-11,14H2,1-2H3/t21-/m0/s1
InChIKeyDPVYWFAFXIJDNM-NRFANRHFSA-N
XLogP2.40
TPSA82.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]quinazolin-4-one?
The IUPAC name of 6,7-dimethoxy-3-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]quinazolin-4-one (CID 51720774) is 6,7-dimethoxy-3-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]quinazolin-4-one.
What is the SMILES notation for 6,7-dimethoxy-3-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]quinazolin-4-one?
The canonical SMILES for 6,7-dimethoxy-3-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]quinazolin-4-one is COc1cc2ncn(CCC(=O)N3CCO[C@H](c4ccccc4)C3)c(=O)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-3-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]quinazolin-4-one?
The InChIKey is DPVYWFAFXIJDNM-NRFANRHFSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-29-19-12-17-18(13-20(19)30-2)24-15-26(23(17)28)9-8-22(27)25-10-11-31-21(14-25)16-6-4-3-5-7-16/h3-7,12-13,15,21H,8-11,14H2,1-2H3/t21-/m0/s1.
What are the key properties of 6,7-dimethoxy-3-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]quinazolin-4-one?
6,7-dimethoxy-3-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]quinazolin-4-one has a molecular weight of 423.47 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]quinazolin-4-one is sourced from PubChem (CID 51720774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).