(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)-[(2R)-2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]-methylideneazanium

C32H35N2O3+ — CID 70998527

IUPAC(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)-[(2R)-2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]-methylideneazanium
SMILESC=[N+](C[C@H](O)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12)C1Cc2cc(CC)c(CC)cc2C1
InChIInChI=1S/C32H34N2O3/c1-4-22-15-24-17-26(18-25(24)16-23(22)5-2)34(3)19-29(35)27-11-13-30(32-28(27)12-14-31(36)33-32)37-20-21-9-7-6-8-10-21/h6-16,26,29,35H,3-5,17-20H2,1-2H3/p+1/t29-/m0/s1
InChIKeyYXLRWYKBLFPHBE-LJAQVGFWSA-O
MW495.64 g/mol
LogP5.15
Rot. Bonds9

About (5,6-diethyl-2,3-dihydro-1H-inden-2-yl)-[(2R)-2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]-methylideneazanium

(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)-[(2R)-2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]-methylideneazanium (PubChem CID 70998527) has the molecular formula C32H35N2O3+ and a molecular weight of 495.64 g/mol. Its IUPAC name is (5,6-diethyl-2,3-dihydro-1H-inden-2-yl)-[(2R)-2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]-methylideneazanium.

Molecular Properties

Compound Name(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)-[(2R)-2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]-methylideneazanium
PubChem CID70998527
Molecular FormulaC32H35N2O3+
Molecular Weight495.64 g/mol
Exact Mass495.26
IUPAC Name(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)-[(2R)-2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]-methylideneazanium
SMILESC=[N+](C[C@H](O)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12)C1Cc2cc(CC)c(CC)cc2C1
InChIInChI=1S/C32H34N2O3/c1-4-22-15-24-17-26(18-25(24)16-23(22)5-2)34(3)19-29(35)27-11-13-30(32-28(27)12-14-31(36)33-32)37-20-21-9-7-6-8-10-21/h6-16,26,29,35H,3-5,17-20H2,1-2H3/p+1/t29-/m0/s1
InChIKeyYXLRWYKBLFPHBE-LJAQVGFWSA-O
XLogP5.15
TPSA65.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.64
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (5,6-diethyl-2,3-dihydro-1H-inden-2-yl)-[(2R)-2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]-methylideneazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
(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-[(1R)-2-[(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-phenylmethoxy-1H-quinolin-2-one
CID 11386205
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)-1-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-8-phenylmethoxy-1H-quinolin-2-one
CID 91493260
5-[(1R)-2-[(2-benzylcyclopentyl)amino]-1-hydroxyethyl]-8-phenylmethoxy-1H-quinolin-2-one
CID 69039761
5-[1-hydroxy-2-[(1-methylsulfonylpiperidin-4-yl)amino]ethyl]-8-phenylmethoxy-1H-quinolin-2-one
CID 175378779
5-[(1R)-2-bromo-1-hydroxyethyl]-8-phenylmethoxy-1H-quinolin-2-one;5-[(1R)-2-bromo-1-propan-2-yloxyethyl]-8-phenylmethoxy-1H-quinolin-2-one
CID 159089444
5-[(2R)-1-aminopropan-2-yl]-8-phenylmethoxy-1H-quinolin-2-one
CID 164875331

Frequently Asked Questions

What is the IUPAC name of (5,6-diethyl-2,3-dihydro-1H-inden-2-yl)-[(2R)-2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]-methylideneazanium?
The IUPAC name of (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) is (5,6-diethyl-2,3-dihydro-1H-inden-2-yl)-[(2R)-2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]-methylideneazanium.
What is the SMILES notation for (5,6-diethyl-2,3-dihydro-1H-inden-2-yl)-[(2R)-2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]-methylideneazanium?
The canonical SMILES for (5,6-diethyl-2,3-dihydro-1H-inden-2-yl)-[(2R)-2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]-methylideneazanium is C=[N+](C[C@H](O)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12)C1Cc2cc(CC)c(CC)cc2C1.
What is the InChIKey of (5,6-diethyl-2,3-dihydro-1H-inden-2-yl)-[(2R)-2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]-methylideneazanium?
The InChIKey is YXLRWYKBLFPHBE-LJAQVGFWSA-O. The full InChI is InChI=1S/C32H34N2O3/c1-4-22-15-24-17-26(18-25(24)16-23(22)5-2)34(3)19-29(35)27-11-13-30(32-28(27)12-14-31(36)33-32)37-20-21-9-7-6-8-10-21/h6-16,26,29,35H,3-5,17-20H2,1-2H3/p+1/t29-/m0/s1.
What are the key properties of (5,6-diethyl-2,3-dihydro-1H-inden-2-yl)-[(2R)-2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]-methylideneazanium?
(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)-[(2R)-2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]-methylideneazanium has a molecular weight of 495.64 g/mol, XLogP of 5.15, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-diethyl-2,3-dihydro-1H-inden-2-yl)-[(2R)-2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]-methylideneazanium is sourced from PubChem (CID 70998527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).