3-[(4-chlorobenzoyl)amino]-N-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxamide

C17H16ClN3O3 — CID 56933015

IUPAC3-[(4-chlorobenzoyl)amino]-N-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESO=C(NO)c1ccc2c(c1)CC(NC(=O)c1ccc(Cl)cc1)CN2
InChIInChI=1S/C17H16ClN3O3/c18-13-4-1-10(2-5-13)16(22)20-14-8-12-7-11(17(23)21-24)3-6-15(12)19-9-14/h1-7,14,19,24H,8-9H2,(H,20,22)(H,21,23)
InChIKeyDLHFOYKBAKTUQQ-UHFFFAOYSA-N
MW345.79 g/mol
LogP2.23
Rot. Bonds3

About 3-[(4-chlorobenzoyl)amino]-N-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxamide

3-[(4-chlorobenzoyl)amino]-N-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxamide (PubChem CID 56933015) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is 3-[(4-chlorobenzoyl)amino]-N-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxamide.

Molecular Properties

Compound Name3-[(4-chlorobenzoyl)amino]-N-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxamide
PubChem CID56933015
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC Name3-[(4-chlorobenzoyl)amino]-N-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESO=C(NO)c1ccc2c(c1)CC(NC(=O)c1ccc(Cl)cc1)CN2
InChIInChI=1S/C17H16ClN3O3/c18-13-4-1-10(2-5-13)16(22)20-14-8-12-7-11(17(23)21-24)3-6-15(12)19-9-14/h1-7,14,19,24H,8-9H2,(H,20,22)(H,21,23)
InChIKeyDLHFOYKBAKTUQQ-UHFFFAOYSA-N
XLogP2.23
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 52.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

N-(1,2,3,4-tetrahydroquinolin-3-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 43823005
3-[2-(3,4-dichlorophenyl)-2-oxoethyl]-N-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 160998137
4-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide
CID 43823004
4-chloro-N-hydroxybenzamide
CID 587178
3-methoxy-4-methyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide
CID 18070930
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775
N-cyclopropyl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142413
(4-chlorophenyl) N-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 56602367
N-(5-oxopyrrolidin-3-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 112534753
3-chloro-4-fluoro-N-(6-oxopiperidin-3-yl)benzamide
CID 81434409
2-chloro-5-hydroxy-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide
CID 106500916
4-bromo-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide
CID 103951495

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorobenzoyl)amino]-N-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The IUPAC name of 3-[(4-chlorobenzoyl)amino]-N-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxamide (CID 56933015) is 3-[(4-chlorobenzoyl)amino]-N-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxamide.
What is the SMILES notation for 3-[(4-chlorobenzoyl)amino]-N-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The canonical SMILES for 3-[(4-chlorobenzoyl)amino]-N-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxamide is O=C(NO)c1ccc2c(c1)CC(NC(=O)c1ccc(Cl)cc1)CN2.
What is the InChIKey of 3-[(4-chlorobenzoyl)amino]-N-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The InChIKey is DLHFOYKBAKTUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c18-13-4-1-10(2-5-13)16(22)20-14-8-12-7-11(17(23)21-24)3-6-15(12)19-9-14/h1-7,14,19,24H,8-9H2,(H,20,22)(H,21,23).
What are the key properties of 3-[(4-chlorobenzoyl)amino]-N-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxamide?
3-[(4-chlorobenzoyl)amino]-N-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxamide has a molecular weight of 345.79 g/mol, XLogP of 2.23, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorobenzoyl)amino]-N-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxamide is sourced from PubChem (CID 56933015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).