6-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-3-phenylmethoxy-10,13-dioxa-1-azatricyclo[7.4.1.02,7]tetradeca-2,4,6,8-tetraene-11,12,14-trione

C33H32N2O7 — CID 141486494

IUPAC6-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-3-phenylmethoxy-10,13-dioxa-1-azatricyclo[7.4.1.02,7]tetradeca-2,4,6,8-tetraene-11,12,14-trione
SMILESCCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(OCc3ccccc3)c3c1cc1c(=O)n3OC(=O)C(=O)O1)C2
InChIInChI=1S/C33H32N2O7/c1-3-20-12-22-14-24(15-23(22)13-21(20)4-2)34-17-27(36)25-10-11-28(40-18-19-8-6-5-7-9-19)30-26(25)16-29-31(37)35(30)42-33(39)32(38)41-29/h5-13,16,24,27,34,36H,3-4,14-15,17-18H2,1-2H3/t27-/m0/s1
InChIKeyNLOXZUAFAJKXOE-MHZLTWQESA-N
MW568.63 g/mol
LogP3.37
Rot. Bonds9

About 6-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-3-phenylmethoxy-10,13-dioxa-1-azatricyclo[7.4.1.02,7]tetradeca-2,4,6,8-tetraene-11,12,14-trione

6-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-3-phenylmethoxy-10,13-dioxa-1-azatricyclo[7.4.1.02,7]tetradeca-2,4,6,8-tetraene-11,12,14-trione (PubChem CID 141486494) has the molecular formula C33H32N2O7 and a molecular weight of 568.63 g/mol. Its IUPAC name is 6-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-3-phenylmethoxy-10,13-dioxa-1-azatricyclo[7.4.1.02,7]tetradeca-2,4,6,8-tetraene-11,12,14-trione.

Molecular Properties

Compound Name6-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-3-phenylmethoxy-10,13-dioxa-1-azatricyclo[7.4.1.02,7]tetradeca-2,4,6,8-tetraene-11,12,14-trione
PubChem CID141486494
Molecular FormulaC33H32N2O7
Molecular Weight568.63 g/mol
Exact Mass568.22
IUPAC Name6-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-3-phenylmethoxy-10,13-dioxa-1-azatricyclo[7.4.1.02,7]tetradeca-2,4,6,8-tetraene-11,12,14-trione
SMILESCCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(OCc3ccccc3)c3c1cc1c(=O)n3OC(=O)C(=O)O1)C2
InChIInChI=1S/C33H32N2O7/c1-3-20-12-22-14-24(15-23(22)13-21(20)4-2)34-17-27(36)25-10-11-28(40-18-19-8-6-5-7-9-19)30-26(25)16-29-31(37)35(30)42-33(39)32(38)41-29/h5-13,16,24,27,34,36H,3-4,14-15,17-18H2,1-2H3/t27-/m0/s1
InChIKeyNLOXZUAFAJKXOE-MHZLTWQESA-N
XLogP3.37
TPSA116.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.63
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 6-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-3-phenylmethoxy-10,13-dioxa-1-azatricyclo[7.4.1.02,7]tetradeca-2,4,6,8-tetraene-11,12,14-trione with MolForge

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Related Compounds

5-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-phenylmethoxy-1H-quinolin-2-one;oxalic acid
CID 175345091
(E)-but-2-enedioic acid;5-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-phenylmethoxy-1H-quinolin-2-one
CID 175736036
(Z)-but-2-enedioic acid;bis(5-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-phenylmethoxy-1H-quinolin-2-one);methane
CID 161032025
5-[(1S)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-[(3-fluorophenyl)methoxy]-1H-quinolin-2-one
CID 167435461
5-[(1S)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-(pyridin-3-ylmethoxy)-1H-quinolin-2-one
CID 166524131
5-[(1R)-2-[(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-phenylmethoxy-1H-quinolin-2-one
CID 11386205
5-[(1R)-2-[benzyl-(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-phenylmethoxy-1H-quinolin-2-one;hydrochloride
CID 175674222
(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)-[(2R)-2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]-methylideneazanium
CID 70998527
5-[1-hydroxy-2-[(1-methylsulfonylpiperidin-4-yl)amino]ethyl]-8-phenylmethoxy-1H-quinolin-2-one
CID 175378779
5-[(1S)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethoxy]-1H-quinolin-2-one
CID 167433526
[5-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-2-oxo-3,4-dihydro-1H-quinolin-8-yl] acetate
CID 68877687
5-[(1R)-2-[[5-ethyl-6-(2,2,2-trideuterioethyl)-2,3-dihydro-1H-inden-2-yl]amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 163322006

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-3-phenylmethoxy-10,13-dioxa-1-azatricyclo[7.4.1.02,7]tetradeca-2,4,6,8-tetraene-11,12,14-trione?
The IUPAC name of 6-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-3-phenylmethoxy-10,13-dioxa-1-azatricyclo[7.4.1.02,7]tetradeca-2,4,6,8-tetraene-11,12,14-trione (CID 141486494) is 6-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-3-phenylmethoxy-10,13-dioxa-1-azatricyclo[7.4.1.02,7]tetradeca-2,4,6,8-tetraene-11,12,14-trione.
What is the SMILES notation for 6-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-3-phenylmethoxy-10,13-dioxa-1-azatricyclo[7.4.1.02,7]tetradeca-2,4,6,8-tetraene-11,12,14-trione?
The canonical SMILES for 6-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-3-phenylmethoxy-10,13-dioxa-1-azatricyclo[7.4.1.02,7]tetradeca-2,4,6,8-tetraene-11,12,14-trione is CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(OCc3ccccc3)c3c1cc1c(=O)n3OC(=O)C(=O)O1)C2.
What is the InChIKey of 6-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-3-phenylmethoxy-10,13-dioxa-1-azatricyclo[7.4.1.02,7]tetradeca-2,4,6,8-tetraene-11,12,14-trione?
The InChIKey is NLOXZUAFAJKXOE-MHZLTWQESA-N. The full InChI is InChI=1S/C33H32N2O7/c1-3-20-12-22-14-24(15-23(22)13-21(20)4-2)34-17-27(36)25-10-11-28(40-18-19-8-6-5-7-9-19)30-26(25)16-29-31(37)35(30)42-33(39)32(38)41-29/h5-13,16,24,27,34,36H,3-4,14-15,17-18H2,1-2H3/t27-/m0/s1.
What are the key properties of 6-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-3-phenylmethoxy-10,13-dioxa-1-azatricyclo[7.4.1.02,7]tetradeca-2,4,6,8-tetraene-11,12,14-trione?
6-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-3-phenylmethoxy-10,13-dioxa-1-azatricyclo[7.4.1.02,7]tetradeca-2,4,6,8-tetraene-11,12,14-trione has a molecular weight of 568.63 g/mol, XLogP of 3.37, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-3-phenylmethoxy-10,13-dioxa-1-azatricyclo[7.4.1.02,7]tetradeca-2,4,6,8-tetraene-11,12,14-trione is sourced from PubChem (CID 141486494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).