1-[(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)-4H-quinoline

C25H23N3O — CID 122689204

IUPAC1-[(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)-4H-quinoline
SMILESCOc1ccc(CN2C=CCc3cccc(-c4ccc5ccn(C)c5c4)c32)cn1
InChIInChI=1S/C25H23N3O/c1-27-14-12-19-9-10-21(15-23(19)27)22-7-3-5-20-6-4-13-28(25(20)22)17-18-8-11-24(29-2)26-16-18/h3-5,7-16H,6,17H2,1-2H3
InChIKeyDLVVNGSNSVSDHR-UHFFFAOYSA-N
MW381.48 g/mol
LogP5.33
Rot. Bonds4

About 1-[(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)-4H-quinoline

1-[(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)-4H-quinoline (PubChem CID 122689204) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-[(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)-4H-quinoline.

Molecular Properties

Compound Name1-[(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)-4H-quinoline
PubChem CID122689204
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC Name1-[(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)-4H-quinoline
SMILESCOc1ccc(CN2C=CCc3cccc(-c4ccc5ccn(C)c5c4)c32)cn1
InChIInChI=1S/C25H23N3O/c1-27-14-12-19-9-10-21(15-23(19)27)22-7-3-5-20-6-4-13-28(25(20)22)17-18-8-11-24(29-2)26-16-18/h3-5,7-16H,6,17H2,1-2H3
InChIKeyDLVVNGSNSVSDHR-UHFFFAOYSA-N
XLogP5.33
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)-4H-quinoline?
The IUPAC name of 1-[(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)-4H-quinoline (CID 122689204) is 1-[(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)-4H-quinoline.
What is the SMILES notation for 1-[(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)-4H-quinoline?
The canonical SMILES for 1-[(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)-4H-quinoline is COc1ccc(CN2C=CCc3cccc(-c4ccc5ccn(C)c5c4)c32)cn1.
What is the InChIKey of 1-[(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)-4H-quinoline?
The InChIKey is DLVVNGSNSVSDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O/c1-27-14-12-19-9-10-21(15-23(19)27)22-7-3-5-20-6-4-13-28(25(20)22)17-18-8-11-24(29-2)26-16-18/h3-5,7-16H,6,17H2,1-2H3.
What are the key properties of 1-[(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)-4H-quinoline?
1-[(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)-4H-quinoline has a molecular weight of 381.48 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)-4H-quinoline is sourced from PubChem (CID 122689204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).