4-[1-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-hydroxybenzamide

C18H19ClN2O2 — CID 130345448

IUPAC4-[1-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-hydroxybenzamide
SMILESCC(c1ccc(C(=O)NO)cc1)N1CCCc2cc(Cl)ccc21
InChIInChI=1S/C18H19ClN2O2/c1-12(13-4-6-14(7-5-13)18(22)20-23)21-10-2-3-15-11-16(19)8-9-17(15)21/h4-9,11-12,23H,2-3,10H2,1H3,(H,20,22)
InChIKeyADATZYAMKRYURV-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.97
Rot. Bonds3

About 4-[1-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-hydroxybenzamide

4-[1-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-hydroxybenzamide (PubChem CID 130345448) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 4-[1-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[1-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-hydroxybenzamide
PubChem CID130345448
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name4-[1-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-hydroxybenzamide
SMILESCC(c1ccc(C(=O)NO)cc1)N1CCCc2cc(Cl)ccc21
InChIInChI=1S/C18H19ClN2O2/c1-12(13-4-6-14(7-5-13)18(22)20-23)21-10-2-3-15-11-16(19)8-9-17(15)21/h4-9,11-12,23H,2-3,10H2,1H3,(H,20,22)
InChIKeyADATZYAMKRYURV-UHFFFAOYSA-N
XLogP3.97
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.97
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

SW-100
CID 130345472
1-[[4-(oxidanylcarbamoyl)phenyl]methyl]-3,4-dihydro-2~{H}-quinoline-6-carboxamide
CID 156024937
4-[(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide
CID 164610864
4-{[(4-chlorophenyl)amino]methyl}-N-hydroxybenzamide
CID 25218545
4-[(7-chloro-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide
CID 164609106
(2R)-2-[1-(3-chlorobenzoyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-6-yl]-N-(4-fluorophenyl)propanamide
CID 164617677
N-(2-benzoyl-4-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 1214066
(+/-)-N-(1-(4-chlorobenzoyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenylacetamide
CID 10251489
3-Chloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-phenyl]-benzamide
CID 10548464
4-{(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydro-6-quinolinyl}benzamide
CID 68161669
US10456394, Example 3
CID 130345433
US10456394, Example 12
CID 130345441

Frequently Asked Questions

What is the IUPAC name of 4-[1-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-hydroxybenzamide?
The IUPAC name of 4-[1-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-hydroxybenzamide (CID 130345448) is 4-[1-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[1-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[1-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-hydroxybenzamide is CC(c1ccc(C(=O)NO)cc1)N1CCCc2cc(Cl)ccc21.
What is the InChIKey of 4-[1-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-hydroxybenzamide?
The InChIKey is ADATZYAMKRYURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-12(13-4-6-14(7-5-13)18(22)20-23)21-10-2-3-15-11-16(19)8-9-17(15)21/h4-9,11-12,23H,2-3,10H2,1H3,(H,20,22).
What are the key properties of 4-[1-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-hydroxybenzamide?
4-[1-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-hydroxybenzamide has a molecular weight of 330.82 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-hydroxybenzamide is sourced from PubChem (CID 130345448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).