2-[[8-[(Z)-C-aminocarbonohydrazonoyl]-3-chloroquinolin-6-yl]methyl]pyridine-4-carboxylic acid

C17H14ClN5O2 — CID 145222243

IUPAC2-[[8-[(Z)-C-aminocarbonohydrazonoyl]-3-chloroquinolin-6-yl]methyl]pyridine-4-carboxylic acid
SMILESN/N=C(\N)c1cc(Cc2cc(C(=O)O)ccn2)cc2cc(Cl)cnc12
InChIInChI=1S/C17H14ClN5O2/c18-12-6-11-3-9(4-13-7-10(17(24)25)1-2-21-13)5-14(16(19)23-20)15(11)22-8-12/h1-3,5-8H,4,20H2,(H2,19,23)(H,24,25)
InChIKeyIOIYUWCOSYZSSW-UHFFFAOYSA-N
MW355.79 g/mol
LogP2.15
Rot. Bonds4

About 2-[[8-[(Z)-C-aminocarbonohydrazonoyl]-3-chloroquinolin-6-yl]methyl]pyridine-4-carboxylic acid

2-[[8-[(Z)-C-aminocarbonohydrazonoyl]-3-chloroquinolin-6-yl]methyl]pyridine-4-carboxylic acid (PubChem CID 145222243) has the molecular formula C17H14ClN5O2 and a molecular weight of 355.79 g/mol. Its IUPAC name is 2-[[8-[(Z)-C-aminocarbonohydrazonoyl]-3-chloroquinolin-6-yl]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[8-[(Z)-C-aminocarbonohydrazonoyl]-3-chloroquinolin-6-yl]methyl]pyridine-4-carboxylic acid
PubChem CID145222243
Molecular FormulaC17H14ClN5O2
Molecular Weight355.79 g/mol
Exact Mass355.08
IUPAC Name2-[[8-[(Z)-C-aminocarbonohydrazonoyl]-3-chloroquinolin-6-yl]methyl]pyridine-4-carboxylic acid
SMILESN/N=C(\N)c1cc(Cc2cc(C(=O)O)ccn2)cc2cc(Cl)cnc12
InChIInChI=1S/C17H14ClN5O2/c18-12-6-11-3-9(4-13-7-10(17(24)25)1-2-21-13)5-14(16(19)23-20)15(11)22-8-12/h1-3,5-8H,4,20H2,(H2,19,23)(H,24,25)
InChIKeyIOIYUWCOSYZSSW-UHFFFAOYSA-N
XLogP2.15
TPSA127.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.79
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methane;methyl 2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 3-chloro-6-[(4-methoxycarbonyl-2-pyridinyl)methyl]quinoline-8-carboxylate
CID 159488290
5-(aminomethyl)-6-methylpyridin-2-amine;2-[(3-chloro-8-methoxycarbonylquinolin-6-yl)methyl]pyridine-4-carboxylic acid;bis(methyl 6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate);hydrochloride
CID 160730229
methyl 2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylate
CID 118665111
5-(aminomethyl)-6-methylpyridin-2-amine;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane
CID 160509135
3-chloro-6-[[4-[(3-chloro-4-fluoro-1H-indol-5-yl)methylcarbamoyl]-2-pyridinyl]methyl]quinoline-8-carboxamide;ethane
CID 145002044
2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]-N-[(5-chloro-2H-indazol-3-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;(5-chloro-2H-indazol-3-yl)methanamine;methane
CID 159097267
bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide);5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane;methane;hydrochloride
CID 160902487
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide
CID 118665190
2-[[4-(methylideneamino)phenyl]methyl]pyridine-4-carboxylic acid
CID 145222326
lithium;alumane;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide;hydride;methane;methyl 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate
CID 159033488
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide;6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylic acid;methyl 6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate;oxolane
CID 159009261
[3-chloro-6-[(4-methyl-2-pyridinyl)methyl]quinolin-8-yl]methyl acetate;ethane;methyl formate
CID 145222367

Frequently Asked Questions

What is the IUPAC name of 2-[[8-[(Z)-C-aminocarbonohydrazonoyl]-3-chloroquinolin-6-yl]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[8-[(Z)-C-aminocarbonohydrazonoyl]-3-chloroquinolin-6-yl]methyl]pyridine-4-carboxylic acid (CID 145222243) is 2-[[8-[(Z)-C-aminocarbonohydrazonoyl]-3-chloroquinolin-6-yl]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[8-[(Z)-C-aminocarbonohydrazonoyl]-3-chloroquinolin-6-yl]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[8-[(Z)-C-aminocarbonohydrazonoyl]-3-chloroquinolin-6-yl]methyl]pyridine-4-carboxylic acid is N/N=C(\N)c1cc(Cc2cc(C(=O)O)ccn2)cc2cc(Cl)cnc12.
What is the InChIKey of 2-[[8-[(Z)-C-aminocarbonohydrazonoyl]-3-chloroquinolin-6-yl]methyl]pyridine-4-carboxylic acid?
The InChIKey is IOIYUWCOSYZSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O2/c18-12-6-11-3-9(4-13-7-10(17(24)25)1-2-21-13)5-14(16(19)23-20)15(11)22-8-12/h1-3,5-8H,4,20H2,(H2,19,23)(H,24,25).
What are the key properties of 2-[[8-[(Z)-C-aminocarbonohydrazonoyl]-3-chloroquinolin-6-yl]methyl]pyridine-4-carboxylic acid?
2-[[8-[(Z)-C-aminocarbonohydrazonoyl]-3-chloroquinolin-6-yl]methyl]pyridine-4-carboxylic acid has a molecular weight of 355.79 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-[(Z)-C-aminocarbonohydrazonoyl]-3-chloroquinolin-6-yl]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 145222243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).