3,4-dihydro-2H-quinolin-1-yl-(4,5,6-trimethoxy-1H-indol-3-yl)methanone

C21H22N2O4 — CID 113206780

IUPAC3,4-dihydro-2H-quinolin-1-yl-(4,5,6-trimethoxy-1H-indol-3-yl)methanone
SMILESCOc1cc2[nH]cc(C(=O)N3CCCc4ccccc43)c2c(OC)c1OC
InChIInChI=1S/C21H22N2O4/c1-25-17-11-15-18(20(27-3)19(17)26-2)14(12-22-15)21(24)23-10-6-8-13-7-4-5-9-16(13)23/h4-5,7,9,11-12,22H,6,8,10H2,1-3H3
InChIKeyDFDGHGXHQHWVBP-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.79
Rot. Bonds4

About 3,4-dihydro-2H-quinolin-1-yl-(4,5,6-trimethoxy-1H-indol-3-yl)methanone

3,4-dihydro-2H-quinolin-1-yl-(4,5,6-trimethoxy-1H-indol-3-yl)methanone (PubChem CID 113206780) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-(4,5,6-trimethoxy-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-(4,5,6-trimethoxy-1H-indol-3-yl)methanone
PubChem CID113206780
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-(4,5,6-trimethoxy-1H-indol-3-yl)methanone
SMILESCOc1cc2[nH]cc(C(=O)N3CCCc4ccccc43)c2c(OC)c1OC
InChIInChI=1S/C21H22N2O4/c1-25-17-11-15-18(20(27-3)19(17)26-2)14(12-22-15)21(24)23-10-6-8-13-7-4-5-9-16(13)23/h4-5,7,9,11-12,22H,6,8,10H2,1-3H3
InChIKeyDFDGHGXHQHWVBP-UHFFFAOYSA-N
XLogP3.79
TPSA63.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,4-dihydro-2H-quinolin-1-yl-(4,5,6-trimethoxy-1H-indol-3-yl)methanone with MolForge

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Related Compounds

(2-bromo-3,4,5-trimethoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 1183918
3,4-dihydro-2H-quinolin-1-yl-(6-methoxy-1H-indol-3-yl)methanone
CID 113206601
3,4-dihydro-2H-quinolin-1-yl-(5-methoxy-1H-indol-3-yl)methanone
CID 113206041
3,4-dihydro-2H-quinolin-1-yl-(2-methoxyphenyl)methanone
CID 903128
3,4-dihydro-2H-quinolin-1-yl-(2,6-dimethoxyphenyl)methanone
CID 5061013
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione
CID 3236506
3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone
CID 51229053
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(3,4,5-trimethoxyphenyl)propanamide
CID 108953427
3,4-dihydro-2H-quinolin-1-yl-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 36653262
(2-amino-6-methoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81393898
3,4-dihydro-2H-quinolin-1-yl(1H-indol-4-yl)methanone
CID 43582707
N-[2-(3,4,5-trimethoxyphenyl)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 113217131

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(4,5,6-trimethoxy-1H-indol-3-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(4,5,6-trimethoxy-1H-indol-3-yl)methanone (CID 113206780) is 3,4-dihydro-2H-quinolin-1-yl-(4,5,6-trimethoxy-1H-indol-3-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-(4,5,6-trimethoxy-1H-indol-3-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-(4,5,6-trimethoxy-1H-indol-3-yl)methanone is COc1cc2[nH]cc(C(=O)N3CCCc4ccccc43)c2c(OC)c1OC.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-(4,5,6-trimethoxy-1H-indol-3-yl)methanone?
The InChIKey is DFDGHGXHQHWVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-25-17-11-15-18(20(27-3)19(17)26-2)14(12-22-15)21(24)23-10-6-8-13-7-4-5-9-16(13)23/h4-5,7,9,11-12,22H,6,8,10H2,1-3H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-(4,5,6-trimethoxy-1H-indol-3-yl)methanone?
3,4-dihydro-2H-quinolin-1-yl-(4,5,6-trimethoxy-1H-indol-3-yl)methanone has a molecular weight of 366.42 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-(4,5,6-trimethoxy-1H-indol-3-yl)methanone is sourced from PubChem (CID 113206780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).