2,3-dihydroindol-1-yl-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone

C23H18N2O2 — CID 3372702

IUPAC2,3-dihydroindol-1-yl-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCc4ccccc43)c3ccccc3n2)o1
InChIInChI=1S/C23H18N2O2/c1-15-10-11-22(27-15)20-14-18(17-7-3-4-8-19(17)24-20)23(26)25-13-12-16-6-2-5-9-21(16)25/h2-11,14H,12-13H2,1H3
InChIKeySPZFOSJHIMOOOQ-UHFFFAOYSA-N
MW354.41 g/mol
LogP5.01
Rot. Bonds2

About 2,3-dihydroindol-1-yl-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone

2,3-dihydroindol-1-yl-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone (PubChem CID 3372702) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone
PubChem CID3372702
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name2,3-dihydroindol-1-yl-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCc4ccccc43)c3ccccc3n2)o1
InChIInChI=1S/C23H18N2O2/c1-15-10-11-22(27-15)20-14-18(17-7-3-4-8-19(17)24-20)23(26)25-13-12-16-6-2-5-9-21(16)25/h2-11,14H,12-13H2,1H3
InChIKeySPZFOSJHIMOOOQ-UHFFFAOYSA-N
XLogP5.01
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 913140
2-[4-[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]piperazin-1-yl]acetamide
CID 175931035
[4-(benzenesulfonyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone
CID 1261213
2-(5-methylfuran-2-yl)-N-morpholin-4-ylquinoline-4-carboxamide
CID 5003008
2,3-dihydroindol-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone
CID 664825
2-(5-methylfuran-2-yl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 3421567
[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 27938763
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 3289831
[2-(5-methylfuran-2-yl)quinolin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 1222852
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 8751097
N-(3,5-dimethylphenyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 1222302
2-(5-methylfuran-2-yl)-N-[7-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]heptyl]quinoline-4-carboxamide
CID 4639931

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone (CID 3372702) is 2,3-dihydroindol-1-yl-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone is Cc1ccc(-c2cc(C(=O)N3CCc4ccccc43)c3ccccc3n2)o1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone?
The InChIKey is SPZFOSJHIMOOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2/c1-15-10-11-22(27-15)20-14-18(17-7-3-4-8-19(17)24-20)23(26)25-13-12-16-6-2-5-9-21(16)25/h2-11,14H,12-13H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone?
2,3-dihydroindol-1-yl-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone has a molecular weight of 354.41 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone is sourced from PubChem (CID 3372702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).