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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Related Compounds

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CID 110635
2-(1,3-Benzodioxol-5-yl)-6-methyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
CID 4687521
17,18-Dimethoxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
CID 136026475
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4-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-2-(4-ethoxyphenyl)quinoline
CID 3241312
1,2,3,4-Tetrahydro pyrido[3,4-b]indole 29
CID 6539944
(6-methoxynaphthalen-1-yl)(2-methyl-1-propyl-1H-indol-3-yl)methanone
CID 11233636
Carbazole-3-carboxamide analog 1
CID 46871948
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CID 22256570
N-[2-[(2S)-2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 164614014
N-[2-[(2S)-2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 164628729
3,4-dimethoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide
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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).