8-methoxy-9-morpholin-4-yl-1-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid

C23H23N3O4 — CID 58147743

IUPAC8-methoxy-9-morpholin-4-yl-1-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid
SMILESCOc1cc2c(cc1N1CCOCC1)-c1c(-c3cccnc3)cc(C(=O)O)n1CC2
InChIInChI=1S/C23H23N3O4/c1-29-21-11-15-4-6-26-20(23(27)28)13-18(16-3-2-5-24-14-16)22(26)17(15)12-19(21)25-7-9-30-10-8-25/h2-3,5,11-14H,4,6-10H2,1H3,(H,27,28)
InChIKeyGAFHTSCEPVUHQD-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.32
Rot. Bonds4

About 8-methoxy-9-morpholin-4-yl-1-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid

8-methoxy-9-morpholin-4-yl-1-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid (PubChem CID 58147743) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is 8-methoxy-9-morpholin-4-yl-1-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-methoxy-9-morpholin-4-yl-1-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid
PubChem CID58147743
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name8-methoxy-9-morpholin-4-yl-1-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid
SMILESCOc1cc2c(cc1N1CCOCC1)-c1c(-c3cccnc3)cc(C(=O)O)n1CC2
InChIInChI=1S/C23H23N3O4/c1-29-21-11-15-4-6-26-20(23(27)28)13-18(16-3-2-5-24-14-16)22(26)17(15)12-19(21)25-7-9-30-10-8-25/h2-3,5,11-14H,4,6-10H2,1H3,(H,27,28)
InChIKeyGAFHTSCEPVUHQD-UHFFFAOYSA-N
XLogP3.32
TPSA76.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-9-morpholin-4-yl-1-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid?
The IUPAC name of 8-methoxy-9-morpholin-4-yl-1-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid (CID 58147743) is 8-methoxy-9-morpholin-4-yl-1-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid.
What is the SMILES notation for 8-methoxy-9-morpholin-4-yl-1-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid?
The canonical SMILES for 8-methoxy-9-morpholin-4-yl-1-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid is COc1cc2c(cc1N1CCOCC1)-c1c(-c3cccnc3)cc(C(=O)O)n1CC2.
What is the InChIKey of 8-methoxy-9-morpholin-4-yl-1-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid?
The InChIKey is GAFHTSCEPVUHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-29-21-11-15-4-6-26-20(23(27)28)13-18(16-3-2-5-24-14-16)22(26)17(15)12-19(21)25-7-9-30-10-8-25/h2-3,5,11-14H,4,6-10H2,1H3,(H,27,28).
What are the key properties of 8-methoxy-9-morpholin-4-yl-1-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid?
8-methoxy-9-morpholin-4-yl-1-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid has a molecular weight of 405.45 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-9-morpholin-4-yl-1-pyridin-3-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid is sourced from PubChem (CID 58147743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).