5-[(1S)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-(pyridin-3-ylmethoxy)-1H-quinolin-2-one

C30H33N3O3 — CID 166524131

IUPAC5-[(1S)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-(pyridin-3-ylmethoxy)-1H-quinolin-2-one
SMILESCCc1cc2c(cc1CC)CC(NC[C@@H](O)c1ccc(OCc3cccnc3)c3[nH]c(=O)ccc13)C2
InChIInChI=1S/C30H33N3O3/c1-3-20-12-22-14-24(15-23(22)13-21(20)4-2)32-17-27(34)25-7-9-28(30-26(25)8-10-29(35)33-30)36-18-19-6-5-11-31-16-19/h5-13,16,24,27,32,34H,3-4,14-15,17-18H2,1-2H3,(H,33,35)/t27-/m1/s1
InChIKeyZYSFMBWZNBEZIB-HHHXNRCGSA-N
MW483.61 g/mol
LogP4.42
Rot. Bonds9

About 5-[(1S)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-(pyridin-3-ylmethoxy)-1H-quinolin-2-one

5-[(1S)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-(pyridin-3-ylmethoxy)-1H-quinolin-2-one (PubChem CID 166524131) has the molecular formula C30H33N3O3 and a molecular weight of 483.61 g/mol. Its IUPAC name is 5-[(1S)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-(pyridin-3-ylmethoxy)-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[(1S)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-(pyridin-3-ylmethoxy)-1H-quinolin-2-one
PubChem CID166524131
Molecular FormulaC30H33N3O3
Molecular Weight483.61 g/mol
Exact Mass483.25
IUPAC Name5-[(1S)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-(pyridin-3-ylmethoxy)-1H-quinolin-2-one
SMILESCCc1cc2c(cc1CC)CC(NC[C@@H](O)c1ccc(OCc3cccnc3)c3[nH]c(=O)ccc13)C2
InChIInChI=1S/C30H33N3O3/c1-3-20-12-22-14-24(15-23(22)13-21(20)4-2)32-17-27(34)25-7-9-28(30-26(25)8-10-29(35)33-30)36-18-19-6-5-11-31-16-19/h5-13,16,24,27,32,34H,3-4,14-15,17-18H2,1-2H3,(H,33,35)/t27-/m1/s1
InChIKeyZYSFMBWZNBEZIB-HHHXNRCGSA-N
XLogP4.42
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[(1S)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-(pyridin-3-ylmethoxy)-1H-quinolin-2-one 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-[(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
(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
(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-[(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
5-[(1R)-1-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-8-phenylmethoxy-1H-quinolin-2-one
CID 91493260
5-[2-[(4,7-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 16738802
(Z)-but-2-enedioic acid;5-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one;2-hydroxyacetic acid
CID 68877012
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
5-[(1S)-2-[(6-fluoro-3-pyridinyl)amino]-1-hydroxyethyl]-8-phenylmethoxy-1H-quinolin-2-one
CID 166524122
5-[(1R)-2-[2-[3-(2-adamantylmethoxy)phenyl]ethylamino]-1-hydroxyethyl]-8-phenylmethoxy-1H-quinolin-2-one
CID 67520437
5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]-8-phenylmethoxy-1H-quinolin-2-one;hydrochloride
CID 69288614
[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

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-(pyridin-3-ylmethoxy)-1H-quinolin-2-one?
The IUPAC name of 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) is 5-[(1S)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-(pyridin-3-ylmethoxy)-1H-quinolin-2-one.
What is the SMILES notation for 5-[(1S)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-(pyridin-3-ylmethoxy)-1H-quinolin-2-one?
The canonical SMILES for 5-[(1S)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-(pyridin-3-ylmethoxy)-1H-quinolin-2-one is CCc1cc2c(cc1CC)CC(NC[C@@H](O)c1ccc(OCc3cccnc3)c3[nH]c(=O)ccc13)C2.
What is the InChIKey of 5-[(1S)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-(pyridin-3-ylmethoxy)-1H-quinolin-2-one?
The InChIKey is ZYSFMBWZNBEZIB-HHHXNRCGSA-N. The full InChI is InChI=1S/C30H33N3O3/c1-3-20-12-22-14-24(15-23(22)13-21(20)4-2)32-17-27(34)25-7-9-28(30-26(25)8-10-29(35)33-30)36-18-19-6-5-11-31-16-19/h5-13,16,24,27,32,34H,3-4,14-15,17-18H2,1-2H3,(H,33,35)/t27-/m1/s1.
What are the key properties of 5-[(1S)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-(pyridin-3-ylmethoxy)-1H-quinolin-2-one?
5-[(1S)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-(pyridin-3-ylmethoxy)-1H-quinolin-2-one has a molecular weight of 483.61 g/mol, XLogP of 4.42, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-(pyridin-3-ylmethoxy)-1H-quinolin-2-one is sourced from PubChem (CID 166524131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).