9-benzyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-7,9-dihydropyrrolo[2,3-c][1,5]naphthyridin-8-one

C23H20N4O3 — CID 75124305

IUPAC9-benzyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-7,9-dihydropyrrolo[2,3-c][1,5]naphthyridin-8-one
SMILESCOc1nc2c3c(cnc2cc1-c1c(C)noc1C)NC(=O)C3Cc1ccccc1
InChIInChI=1S/C23H20N4O3/c1-12-19(13(2)30-27-12)16-10-17-21(26-23(16)29-3)20-15(9-14-7-5-4-6-8-14)22(28)25-18(20)11-24-17/h4-8,10-11,15H,9H2,1-3H3,(H,25,28)
InChIKeyZULXIHDLPPWDPC-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.19
Rot. Bonds4

About 9-benzyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-7,9-dihydropyrrolo[2,3-c][1,5]naphthyridin-8-one

9-benzyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-7,9-dihydropyrrolo[2,3-c][1,5]naphthyridin-8-one (PubChem CID 75124305) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 9-benzyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-7,9-dihydropyrrolo[2,3-c][1,5]naphthyridin-8-one.

Molecular Properties

Compound Name9-benzyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-7,9-dihydropyrrolo[2,3-c][1,5]naphthyridin-8-one
PubChem CID75124305
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name9-benzyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-7,9-dihydropyrrolo[2,3-c][1,5]naphthyridin-8-one
SMILESCOc1nc2c3c(cnc2cc1-c1c(C)noc1C)NC(=O)C3Cc1ccccc1
InChIInChI=1S/C23H20N4O3/c1-12-19(13(2)30-27-12)16-10-17-21(26-23(16)29-3)20-15(9-14-7-5-4-6-8-14)22(28)25-18(20)11-24-17/h4-8,10-11,15H,9H2,1-3H3,(H,25,28)
InChIKeyZULXIHDLPPWDPC-UHFFFAOYSA-N
XLogP4.19
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-benzyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-7,9-dihydropyrrolo[2,3-c][1,5]naphthyridin-8-one?
The IUPAC name of 9-benzyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-7,9-dihydropyrrolo[2,3-c][1,5]naphthyridin-8-one (CID 75124305) is 9-benzyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-7,9-dihydropyrrolo[2,3-c][1,5]naphthyridin-8-one.
What is the SMILES notation for 9-benzyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-7,9-dihydropyrrolo[2,3-c][1,5]naphthyridin-8-one?
The canonical SMILES for 9-benzyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-7,9-dihydropyrrolo[2,3-c][1,5]naphthyridin-8-one is COc1nc2c3c(cnc2cc1-c1c(C)noc1C)NC(=O)C3Cc1ccccc1.
What is the InChIKey of 9-benzyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-7,9-dihydropyrrolo[2,3-c][1,5]naphthyridin-8-one?
The InChIKey is ZULXIHDLPPWDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-12-19(13(2)30-27-12)16-10-17-21(26-23(16)29-3)20-15(9-14-7-5-4-6-8-14)22(28)25-18(20)11-24-17/h4-8,10-11,15H,9H2,1-3H3,(H,25,28).
What are the key properties of 9-benzyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-7,9-dihydropyrrolo[2,3-c][1,5]naphthyridin-8-one?
9-benzyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-7,9-dihydropyrrolo[2,3-c][1,5]naphthyridin-8-one has a molecular weight of 400.44 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-7,9-dihydropyrrolo[2,3-c][1,5]naphthyridin-8-one is sourced from PubChem (CID 75124305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).