2,3-dihydroindol-1-yl-(2-methylquinolin-4-yl)methanone

C19H16N2O — CID 2078228

IUPAC2,3-dihydroindol-1-yl-(2-methylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCc3ccccc32)c2ccccc2n1
InChIInChI=1S/C19H16N2O/c1-13-12-16(15-7-3-4-8-17(15)20-13)19(22)21-11-10-14-6-2-5-9-18(14)21/h2-9,12H,10-11H2,1H3
InChIKeyZMRASYUSRZLLSF-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.75
Rot. Bonds1

About 2,3-dihydroindol-1-yl-(2-methylquinolin-4-yl)methanone

2,3-dihydroindol-1-yl-(2-methylquinolin-4-yl)methanone (PubChem CID 2078228) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-(2-methylquinolin-4-yl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-(2-methylquinolin-4-yl)methanone
PubChem CID2078228
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name2,3-dihydroindol-1-yl-(2-methylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCc3ccccc32)c2ccccc2n1
InChIInChI=1S/C19H16N2O/c1-13-12-16(15-7-3-4-8-17(15)20-13)19(22)21-11-10-14-6-2-5-9-18(14)21/h2-9,12H,10-11H2,1H3
InChIKeyZMRASYUSRZLLSF-UHFFFAOYSA-N
XLogP3.75
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Rutaecarpine
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N-(2-(Dimethylamino)ethyl)acridine-4-carboxamide
CID 107805
Jwh 015
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Biriperone
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Evodiamine
CID 442088
Indoramin hydrochloride
CID 38102
1H-Indole-3-carboxaldehyde, 1-methyl-2-phenyl-
CID 74468
Eburnamonine
CID 92112

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-(2-methylquinolin-4-yl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-(2-methylquinolin-4-yl)methanone (CID 2078228) is 2,3-dihydroindol-1-yl-(2-methylquinolin-4-yl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-(2-methylquinolin-4-yl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-(2-methylquinolin-4-yl)methanone is Cc1cc(C(=O)N2CCc3ccccc32)c2ccccc2n1.
What is the InChIKey of 2,3-dihydroindol-1-yl-(2-methylquinolin-4-yl)methanone?
The InChIKey is ZMRASYUSRZLLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c1-13-12-16(15-7-3-4-8-17(15)20-13)19(22)21-11-10-14-6-2-5-9-18(14)21/h2-9,12H,10-11H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-(2-methylquinolin-4-yl)methanone?
2,3-dihydroindol-1-yl-(2-methylquinolin-4-yl)methanone has a molecular weight of 288.35 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-(2-methylquinolin-4-yl)methanone is sourced from PubChem (CID 2078228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).