1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylurea

C19H23N3O2 — CID 38886171

IUPAC1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylurea
SMILESO=C(NC[C@@H](O)CN1CCc2ccccc2C1)Nc1ccccc1
InChIInChI=1S/C19H23N3O2/c23-18(12-20-19(24)21-17-8-2-1-3-9-17)14-22-11-10-15-6-4-5-7-16(15)13-22/h1-9,18,23H,10-14H2,(H2,20,21,24)/t18-/m1/s1
InChIKeyJQEBBTKFWRCBRM-GOSISDBHSA-N
MW325.41 g/mol
LogP2.23
Rot. Bonds5

About 1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylurea

1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylurea (PubChem CID 38886171) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylurea
PubChem CID38886171
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylurea
SMILESO=C(NC[C@@H](O)CN1CCc2ccccc2C1)Nc1ccccc1
InChIInChI=1S/C19H23N3O2/c23-18(12-20-19(24)21-17-8-2-1-3-9-17)14-22-11-10-15-6-4-5-7-16(15)13-22/h1-9,18,23H,10-14H2,(H2,20,21,24)/t18-/m1/s1
InChIKeyJQEBBTKFWRCBRM-GOSISDBHSA-N
XLogP2.23
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylurea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylurea?
The IUPAC name of 1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylurea (CID 38886171) is 1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylurea.
What is the SMILES notation for 1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylurea?
The canonical SMILES for 1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylurea is O=C(NC[C@@H](O)CN1CCc2ccccc2C1)Nc1ccccc1.
What is the InChIKey of 1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylurea?
The InChIKey is JQEBBTKFWRCBRM-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-18(12-20-19(24)21-17-8-2-1-3-9-17)14-22-11-10-15-6-4-5-7-16(15)13-22/h1-9,18,23H,10-14H2,(H2,20,21,24)/t18-/m1/s1.
What are the key properties of 1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylurea?
1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylurea has a molecular weight of 325.41 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylurea is sourced from PubChem (CID 38886171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).