3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethyl-1H-indol-5-yl)methanone

C20H20N2O — CID 9463883

IUPAC3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethyl-1H-indol-5-yl)methanone
SMILESCc1[nH]c2ccc(C(=O)N3CCCc4ccccc43)cc2c1C
InChIInChI=1S/C20H20N2O/c1-13-14(2)21-18-10-9-16(12-17(13)18)20(23)22-11-5-7-15-6-3-4-8-19(15)22/h3-4,6,8-10,12,21H,5,7,11H2,1-2H3
InChIKeyOZQSHKXWPKLDPZ-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.38
Rot. Bonds1

About 3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethyl-1H-indol-5-yl)methanone

3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethyl-1H-indol-5-yl)methanone (PubChem CID 9463883) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethyl-1H-indol-5-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethyl-1H-indol-5-yl)methanone
PubChem CID9463883
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethyl-1H-indol-5-yl)methanone
SMILESCc1[nH]c2ccc(C(=O)N3CCCc4ccccc43)cc2c1C
InChIInChI=1S/C20H20N2O/c1-13-14(2)21-18-10-9-16(12-17(13)18)20(23)22-11-5-7-15-6-3-4-8-19(15)22/h3-4,6,8-10,12,21H,5,7,11H2,1-2H3
InChIKeyOZQSHKXWPKLDPZ-UHFFFAOYSA-N
XLogP4.38
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
CID 776290
3,4-dihydro-1H-isoquinolin-2-yl-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 4788431
(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 806851
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
(2,3-dimethyl-1H-indol-5-yl)-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 37162521
3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone
CID 51229053
3,4-dihydro-2H-quinolin-1-yl-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]methanone
CID 7685923
7-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one
CID 51339858
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
CID 113211353
3-[2-chloro-5-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-1H-quinazoline-2,4-dione
CID 23119972
(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2984117
3,4-dihydro-2H-quinolin-1-yl-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
CID 43582708

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethyl-1H-indol-5-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethyl-1H-indol-5-yl)methanone (CID 9463883) is 3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethyl-1H-indol-5-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethyl-1H-indol-5-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethyl-1H-indol-5-yl)methanone is Cc1[nH]c2ccc(C(=O)N3CCCc4ccccc43)cc2c1C.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethyl-1H-indol-5-yl)methanone?
The InChIKey is OZQSHKXWPKLDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-13-14(2)21-18-10-9-16(12-17(13)18)20(23)22-11-5-7-15-6-3-4-8-19(15)22/h3-4,6,8-10,12,21H,5,7,11H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethyl-1H-indol-5-yl)methanone?
3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethyl-1H-indol-5-yl)methanone has a molecular weight of 304.39 g/mol, XLogP of 4.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethyl-1H-indol-5-yl)methanone is sourced from PubChem (CID 9463883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).