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

C18H20ClN3O2 — CID 19787321

IUPAC1-[[1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]methyl]-1-hydroxyurea
SMILESNC(=O)N(O)Cc1ccc2c(c1)CCCN2Cc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O2/c19-16-6-3-13(4-7-16)11-21-9-1-2-15-10-14(5-8-17(15)21)12-22(24)18(20)23/h3-8,10,24H,1-2,9,11-12H2,(H2,20,23)
InChIKeyMVEUEBXBZHHOKZ-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.56
Rot. Bonds4

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

1-[[1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]methyl]-1-hydroxyurea (PubChem CID 19787321) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 1-[[1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]methyl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[[1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]methyl]-1-hydroxyurea
PubChem CID19787321
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name1-[[1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]methyl]-1-hydroxyurea
SMILESNC(=O)N(O)Cc1ccc2c(c1)CCCN2Cc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O2/c19-16-6-3-13(4-7-16)11-21-9-1-2-15-10-14(5-8-17(15)21)12-22(24)18(20)23/h3-8,10,24H,1-2,9,11-12H2,(H2,20,23)
InChIKeyMVEUEBXBZHHOKZ-UHFFFAOYSA-N
XLogP3.56
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.56
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'}

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Related Compounds

1-[[1-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]methyl]-1-hydroxyurea
CID 19787344
1-[(1-benzyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-hydroxyurea
CID 19787308
4-[(8-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzoic acid
CID 168861218
1-[(3-carbamoylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 75455915
4-[(5-carbamoyl-2,3-dihydroindol-1-yl)methyl]benzoyl iodide
CID 90075277
N-[1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 71811966
1-[(3-chlorophenyl)methyl]-1-hydroxyurea
CID 134087459
N-[1-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 71811983
4-[[6-(1,3-diiminopropan-2-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide
CID 123808114
1-[[4-(5-methylidenepyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 130230501
N-[1-[[4-(cyanomethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 71812001
1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinoline-8-carboxylic acid
CID 58307054

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]methyl]-1-hydroxyurea?
The IUPAC name of 1-[[1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]methyl]-1-hydroxyurea (CID 19787321) is 1-[[1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]methyl]-1-hydroxyurea.
What is the SMILES notation for 1-[[1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]methyl]-1-hydroxyurea?
The canonical SMILES for 1-[[1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]methyl]-1-hydroxyurea is NC(=O)N(O)Cc1ccc2c(c1)CCCN2Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[[1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]methyl]-1-hydroxyurea?
The InChIKey is MVEUEBXBZHHOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c19-16-6-3-13(4-7-16)11-21-9-1-2-15-10-14(5-8-17(15)21)12-22(24)18(20)23/h3-8,10,24H,1-2,9,11-12H2,(H2,20,23).
What are the key properties of 1-[[1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]methyl]-1-hydroxyurea?
1-[[1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]methyl]-1-hydroxyurea has a molecular weight of 345.83 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]methyl]-1-hydroxyurea is sourced from PubChem (CID 19787321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).