2,3-dihydroindol-1-yl-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]methanone

C26H22N2O3 — CID 2107723

IUPAC2,3-dihydroindol-1-yl-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCc4ccccc43)c3ccccc3n2)cc1OC
InChIInChI=1S/C26H22N2O3/c1-30-24-12-11-18(15-25(24)31-2)22-16-20(19-8-4-5-9-21(19)27-22)26(29)28-14-13-17-7-3-6-10-23(17)28/h3-12,15-16H,13-14H2,1-2H3
InChIKeyFQIHLRVJQTUHFZ-UHFFFAOYSA-N
MW410.47 g/mol
LogP5.12
Rot. Bonds4

About 2,3-dihydroindol-1-yl-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]methanone

2,3-dihydroindol-1-yl-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]methanone (PubChem CID 2107723) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]methanone
PubChem CID2107723
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC Name2,3-dihydroindol-1-yl-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCc4ccccc43)c3ccccc3n2)cc1OC
InChIInChI=1S/C26H22N2O3/c1-30-24-12-11-18(15-25(24)31-2)22-16-20(19-8-4-5-9-21(19)27-22)26(29)28-14-13-17-7-3-6-10-23(17)28/h3-12,15-16H,13-14H2,1-2H3
InChIKeyFQIHLRVJQTUHFZ-UHFFFAOYSA-N
XLogP5.12
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]methanone (CID 2107723) is 2,3-dihydroindol-1-yl-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]methanone is COc1ccc(-c2cc(C(=O)N3CCc4ccccc43)c3ccccc3n2)cc1OC.
What is the InChIKey of 2,3-dihydroindol-1-yl-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]methanone?
The InChIKey is FQIHLRVJQTUHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3/c1-30-24-12-11-18(15-25(24)31-2)22-16-20(19-8-4-5-9-21(19)27-22)26(29)28-14-13-17-7-3-6-10-23(17)28/h3-12,15-16H,13-14H2,1-2H3.
What are the key properties of 2,3-dihydroindol-1-yl-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]methanone?
2,3-dihydroindol-1-yl-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]methanone has a molecular weight of 410.47 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]methanone is sourced from PubChem (CID 2107723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).