1-[(1-benzyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-hydroxyurea

C19H23N3O2 — CID 19787308

IUPAC1-[(1-benzyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-hydroxyurea
SMILESCC1CCc2cc(CN(O)C(N)=O)ccc2N1Cc1ccccc1
InChIInChI=1S/C19H23N3O2/c1-14-7-9-17-11-16(13-22(24)19(20)23)8-10-18(17)21(14)12-15-5-3-2-4-6-15/h2-6,8,10-11,14,24H,7,9,12-13H2,1H3,(H2,20,23)
InChIKeyFKEQYZUKEWRGJI-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.30
Rot. Bonds4

About 1-[(1-benzyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-hydroxyurea

1-[(1-benzyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-hydroxyurea (PubChem CID 19787308) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[(1-benzyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[(1-benzyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-hydroxyurea
PubChem CID19787308
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-[(1-benzyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-hydroxyurea
SMILESCC1CCc2cc(CN(O)C(N)=O)ccc2N1Cc1ccccc1
InChIInChI=1S/C19H23N3O2/c1-14-7-9-17-11-16(13-22(24)19(20)23)8-10-18(17)21(14)12-15-5-3-2-4-6-15/h2-6,8,10-11,14,24H,7,9,12-13H2,1H3,(H2,20,23)
InChIKeyFKEQYZUKEWRGJI-UHFFFAOYSA-N
XLogP3.30
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(1-benzyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-hydroxyurea 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-[(1-benzyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-hydroxyurea?
The IUPAC name of 1-[(1-benzyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-hydroxyurea (CID 19787308) is 1-[(1-benzyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-hydroxyurea.
What is the SMILES notation for 1-[(1-benzyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-hydroxyurea?
The canonical SMILES for 1-[(1-benzyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-hydroxyurea is CC1CCc2cc(CN(O)C(N)=O)ccc2N1Cc1ccccc1.
What is the InChIKey of 1-[(1-benzyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-hydroxyurea?
The InChIKey is FKEQYZUKEWRGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-7-9-17-11-16(13-22(24)19(20)23)8-10-18(17)21(14)12-15-5-3-2-4-6-15/h2-6,8,10-11,14,24H,7,9,12-13H2,1H3,(H2,20,23).
What are the key properties of 1-[(1-benzyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-hydroxyurea?
1-[(1-benzyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-hydroxyurea has a molecular weight of 325.41 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-hydroxyurea is sourced from PubChem (CID 19787308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).