N-[(6-chloroquinolin-2-yl)methyl]-N'-hydroxyheptanediamide

C17H20ClN3O3 — CID 122182531

IUPACN-[(6-chloroquinolin-2-yl)methyl]-N'-hydroxyheptanediamide
SMILESO=C(CCCCCC(=O)NCc1ccc2cc(Cl)ccc2n1)NO
InChIInChI=1S/C17H20ClN3O3/c18-13-7-9-15-12(10-13)6-8-14(20-15)11-19-16(22)4-2-1-3-5-17(23)21-24/h6-10,24H,1-5,11H2,(H,19,22)(H,21,23)
InChIKeyGGVIVKISPJHBGP-UHFFFAOYSA-N
MW349.82 g/mol
LogP2.96
Rot. Bonds8

About N-[(6-chloroquinolin-2-yl)methyl]-N'-hydroxyheptanediamide

N-[(6-chloroquinolin-2-yl)methyl]-N'-hydroxyheptanediamide (PubChem CID 122182531) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is N-[(6-chloroquinolin-2-yl)methyl]-N'-hydroxyheptanediamide.

Molecular Properties

Compound NameN-[(6-chloroquinolin-2-yl)methyl]-N'-hydroxyheptanediamide
PubChem CID122182531
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC NameN-[(6-chloroquinolin-2-yl)methyl]-N'-hydroxyheptanediamide
SMILESO=C(CCCCCC(=O)NCc1ccc2cc(Cl)ccc2n1)NO
InChIInChI=1S/C17H20ClN3O3/c18-13-7-9-15-12(10-13)6-8-14(20-15)11-19-16(22)4-2-1-3-5-17(23)21-24/h6-10,24H,1-5,11H2,(H,19,22)(H,21,23)
InChIKeyGGVIVKISPJHBGP-UHFFFAOYSA-N
XLogP2.96
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-N-cyclopropyl-4-quinolinecarboxamide
CID 7131550
2-(3-chlorophenyl)-N-cyclopropyl-3-methyl-4-quinolinecarboxamide
CID 841557
N-[(3-chlorophenyl)methyl]-2-methylquinoline-4-carboxamide
CID 2088463
N-[2-(4-chlorophenyl)ethyl]quinoline-2-carboxamide
CID 2089407
N-[(4-chlorophenyl)methyl]quinoline-2-carboxamide
CID 2094700
N-[(2-chlorophenyl)methyl]quinoline-2-carboxamide
CID 2097108
N'-hydroxy-N-(quinolin-2-ylmethyl)heptanediamide
CID 122182528
N'-hydroxy-N-(quinolin-2-ylmethyl)octanediamide
CID 122182529
N-[(6-fluoroquinolin-2-yl)methyl]-N'-hydroxyheptanediamide
CID 122182530
N'-hydroxy-N-[(6-iodoquinolin-2-yl)methyl]heptanediamide
CID 122182565
Vincantril
CID 68854
4-Acridinecarboxamide, 7-chloro-N-(2-(dimethylamino)ethyl)-
CID 3025660

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloroquinolin-2-yl)methyl]-N'-hydroxyheptanediamide?
The IUPAC name of N-[(6-chloroquinolin-2-yl)methyl]-N'-hydroxyheptanediamide (CID 122182531) is N-[(6-chloroquinolin-2-yl)methyl]-N'-hydroxyheptanediamide.
What is the SMILES notation for N-[(6-chloroquinolin-2-yl)methyl]-N'-hydroxyheptanediamide?
The canonical SMILES for N-[(6-chloroquinolin-2-yl)methyl]-N'-hydroxyheptanediamide is O=C(CCCCCC(=O)NCc1ccc2cc(Cl)ccc2n1)NO.
What is the InChIKey of N-[(6-chloroquinolin-2-yl)methyl]-N'-hydroxyheptanediamide?
The InChIKey is GGVIVKISPJHBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c18-13-7-9-15-12(10-13)6-8-14(20-15)11-19-16(22)4-2-1-3-5-17(23)21-24/h6-10,24H,1-5,11H2,(H,19,22)(H,21,23).
What are the key properties of N-[(6-chloroquinolin-2-yl)methyl]-N'-hydroxyheptanediamide?
N-[(6-chloroquinolin-2-yl)methyl]-N'-hydroxyheptanediamide has a molecular weight of 349.82 g/mol, XLogP of 2.96, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloroquinolin-2-yl)methyl]-N'-hydroxyheptanediamide is sourced from PubChem (CID 122182531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).