1-[1-(2,3-dihydro-1H-inden-1-yl)-2-hydroxyethyl]-3-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]urea

C23H27N3O3 — CID 166272312

IUPAC1-[1-(2,3-dihydro-1H-inden-1-yl)-2-hydroxyethyl]-3-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]urea
SMILESO=C(NCCN1CCc2ccccc2C1=O)NC(CO)C1CCc2ccccc21
InChIInChI=1S/C23H27N3O3/c27-15-21(20-10-9-16-5-1-3-7-18(16)20)25-23(29)24-12-14-26-13-11-17-6-2-4-8-19(17)22(26)28/h1-8,20-21,27H,9-15H2,(H2,24,25,29)
InChIKeyRISWXLSTZOALKJ-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.08
Rot. Bonds6

About 1-[1-(2,3-dihydro-1H-inden-1-yl)-2-hydroxyethyl]-3-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]urea

1-[1-(2,3-dihydro-1H-inden-1-yl)-2-hydroxyethyl]-3-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]urea (PubChem CID 166272312) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1H-inden-1-yl)-2-hydroxyethyl]-3-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[1-(2,3-dihydro-1H-inden-1-yl)-2-hydroxyethyl]-3-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]urea
PubChem CID166272312
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name1-[1-(2,3-dihydro-1H-inden-1-yl)-2-hydroxyethyl]-3-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]urea
SMILESO=C(NCCN1CCc2ccccc2C1=O)NC(CO)C1CCc2ccccc21
InChIInChI=1S/C23H27N3O3/c27-15-21(20-10-9-16-5-1-3-7-18(16)20)25-23(29)24-12-14-26-13-11-17-6-2-4-8-19(17)22(26)28/h1-8,20-21,27H,9-15H2,(H2,24,25,29)
InChIKeyRISWXLSTZOALKJ-UHFFFAOYSA-N
XLogP2.08
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2,3-dihydro-1H-inden-1-yl)-2-hydroxyethyl]-3-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]urea with MolForge

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Related Compounds

2-cyclopropyl-N-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]acetamide
CID 99790272
2-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethoxy]acetic acid
CID 83084684
2-(cyclopropylmethyl)-3,4-dihydroisoquinolin-1-one
CID 70927083
(1S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-oxo-1,2-dihydroindene-1-carboxamide
CID 95217368
2-nonyl-3,4-dihydroisoquinolin-1-one
CID 104501189
2-(2-cyclopropylethyl)-4,5-dihydro-3H-2-benzazepin-1-one
CID 113422912
2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 107914190
2-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 115873461
1-azatetracyclo[9.8.0.03,8.012,17]nonadeca-3,5,7,12,14,16-hexaen-2-one
CID 102593110
2-[[2-(hydroxymethyl)cyclohexyl]methyl]-3,4-dihydroisoquinolin-1-one
CID 104550204
2-[2-(3-hydroxypropylsulfanyl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 106305039
2-(2-piperidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one
CID 115773461

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1H-inden-1-yl)-2-hydroxyethyl]-3-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]urea?
The IUPAC name of 1-[1-(2,3-dihydro-1H-inden-1-yl)-2-hydroxyethyl]-3-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]urea (CID 166272312) is 1-[1-(2,3-dihydro-1H-inden-1-yl)-2-hydroxyethyl]-3-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]urea.
What is the SMILES notation for 1-[1-(2,3-dihydro-1H-inden-1-yl)-2-hydroxyethyl]-3-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]urea?
The canonical SMILES for 1-[1-(2,3-dihydro-1H-inden-1-yl)-2-hydroxyethyl]-3-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]urea is O=C(NCCN1CCc2ccccc2C1=O)NC(CO)C1CCc2ccccc21.
What is the InChIKey of 1-[1-(2,3-dihydro-1H-inden-1-yl)-2-hydroxyethyl]-3-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]urea?
The InChIKey is RISWXLSTZOALKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c27-15-21(20-10-9-16-5-1-3-7-18(16)20)25-23(29)24-12-14-26-13-11-17-6-2-4-8-19(17)22(26)28/h1-8,20-21,27H,9-15H2,(H2,24,25,29).
What are the key properties of 1-[1-(2,3-dihydro-1H-inden-1-yl)-2-hydroxyethyl]-3-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]urea?
1-[1-(2,3-dihydro-1H-inden-1-yl)-2-hydroxyethyl]-3-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]urea has a molecular weight of 393.49 g/mol, XLogP of 2.08, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydro-1H-inden-1-yl)-2-hydroxyethyl]-3-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]urea is sourced from PubChem (CID 166272312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).