[4-(2,3-dihydroindol-1-yl)-3-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4-dimethoxyphenyl)methanone

C27H28N2O4 — CID 20822842

IUPAC[4-(2,3-dihydroindol-1-yl)-3-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2c3ccccc3C(N3CCc4ccccc43)C(O)C2C)cc1OC
InChIInChI=1S/C27H28N2O4/c1-17-26(30)25(28-15-14-18-8-4-6-10-21(18)28)20-9-5-7-11-22(20)29(17)27(31)19-12-13-23(32-2)24(16-19)33-3/h4-13,16-17,25-26,30H,14-15H2,1-3H3
InChIKeyONHGUYSLQZENMK-UHFFFAOYSA-N
MW444.53 g/mol
LogP4.22
Rot. Bonds4

About [4-(2,3-dihydroindol-1-yl)-3-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4-dimethoxyphenyl)methanone

[4-(2,3-dihydroindol-1-yl)-3-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4-dimethoxyphenyl)methanone (PubChem CID 20822842) has the molecular formula C27H28N2O4 and a molecular weight of 444.53 g/mol. Its IUPAC name is [4-(2,3-dihydroindol-1-yl)-3-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(2,3-dihydroindol-1-yl)-3-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4-dimethoxyphenyl)methanone
PubChem CID20822842
Molecular FormulaC27H28N2O4
Molecular Weight444.53 g/mol
Exact Mass444.20
IUPAC Name[4-(2,3-dihydroindol-1-yl)-3-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2c3ccccc3C(N3CCc4ccccc43)C(O)C2C)cc1OC
InChIInChI=1S/C27H28N2O4/c1-17-26(30)25(28-15-14-18-8-4-6-10-21(18)28)20-9-5-7-11-22(20)29(17)27(31)19-12-13-23(32-2)24(16-19)33-3/h4-13,16-17,25-26,30H,14-15H2,1-3H3
InChIKeyONHGUYSLQZENMK-UHFFFAOYSA-N
XLogP4.22
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-dimethoxyphenyl)-[3-hydroxy-2-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 20822839
(3,4-dimethoxyphenyl)-[2-methyl-4-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 20822836
2-(3,4-dimethoxybenzoyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 119212854
1-(3,4-dimethoxybenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 118856568
N-[1-[1-(3,4-dimethoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 22339259
(4-ethoxy-3-methoxyphenyl)-(4-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 22339201
1-(3,4-dimethoxybenzoyl)-3,4-dihydroquinolin-2-one
CID 139623169
(3-bromo-4-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 675985
(3,4-dimethoxyphenyl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110314239
(3-chloro-4-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 133184168
(3-fluoro-4-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 46819959
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydroindol-1-yl)-3-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4-dimethoxyphenyl)methanone?
The IUPAC name of [4-(2,3-dihydroindol-1-yl)-3-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4-dimethoxyphenyl)methanone (CID 20822842) is [4-(2,3-dihydroindol-1-yl)-3-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4-dimethoxyphenyl)methanone.
What is the SMILES notation for [4-(2,3-dihydroindol-1-yl)-3-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4-dimethoxyphenyl)methanone?
The canonical SMILES for [4-(2,3-dihydroindol-1-yl)-3-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)N2c3ccccc3C(N3CCc4ccccc43)C(O)C2C)cc1OC.
What is the InChIKey of [4-(2,3-dihydroindol-1-yl)-3-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4-dimethoxyphenyl)methanone?
The InChIKey is ONHGUYSLQZENMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O4/c1-17-26(30)25(28-15-14-18-8-4-6-10-21(18)28)20-9-5-7-11-22(20)29(17)27(31)19-12-13-23(32-2)24(16-19)33-3/h4-13,16-17,25-26,30H,14-15H2,1-3H3.
What are the key properties of [4-(2,3-dihydroindol-1-yl)-3-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4-dimethoxyphenyl)methanone?
[4-(2,3-dihydroindol-1-yl)-3-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4-dimethoxyphenyl)methanone has a molecular weight of 444.53 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydroindol-1-yl)-3-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 20822842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).