6-[4-[(7-chloroquinolin-4-yl)amino]butyl]-2-[(E)-hydroxyiminomethyl]pyridin-3-ol

C19H19ClN4O2 — CID 137038269

IUPAC6-[4-[(7-chloroquinolin-4-yl)amino]butyl]-2-[(E)-hydroxyiminomethyl]pyridin-3-ol
SMILESO/N=C/c1nc(CCCCNc2ccnc3cc(Cl)ccc23)ccc1O
InChIInChI=1S/C19H19ClN4O2/c20-13-4-6-15-16(8-10-22-17(15)11-13)21-9-2-1-3-14-5-7-19(25)18(24-14)12-23-26/h4-8,10-12,25-26H,1-3,9H2,(H,21,22)/b23-12+
InChIKeyQXOGDBGYACVHAB-FSJBWODESA-N
MW370.84 g/mol
LogP4.23
Rot. Bonds7

About 6-[4-[(7-chloroquinolin-4-yl)amino]butyl]-2-[(E)-hydroxyiminomethyl]pyridin-3-ol

6-[4-[(7-chloroquinolin-4-yl)amino]butyl]-2-[(E)-hydroxyiminomethyl]pyridin-3-ol (PubChem CID 137038269) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 6-[4-[(7-chloroquinolin-4-yl)amino]butyl]-2-[(E)-hydroxyiminomethyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[4-[(7-chloroquinolin-4-yl)amino]butyl]-2-[(E)-hydroxyiminomethyl]pyridin-3-ol
PubChem CID137038269
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name6-[4-[(7-chloroquinolin-4-yl)amino]butyl]-2-[(E)-hydroxyiminomethyl]pyridin-3-ol
SMILESO/N=C/c1nc(CCCCNc2ccnc3cc(Cl)ccc23)ccc1O
InChIInChI=1S/C19H19ClN4O2/c20-13-4-6-15-16(8-10-22-17(15)11-13)21-9-2-1-3-14-5-7-19(25)18(24-14)12-23-26/h4-8,10-12,25-26H,1-3,9H2,(H,21,22)/b23-12+
InChIKeyQXOGDBGYACVHAB-FSJBWODESA-N
XLogP4.23
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-[4-[(7-chloroquinolin-4-yl)amino]butyl]-2-[(E)-hydroxyiminomethyl]pyridin-3-ol with MolForge

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Related Compounds

(NZ)-N-[[3-fluoro-6-[4-(quinolin-4-ylamino)butyl]-2-pyridinyl]methylidene]hydroxylamine
CID 138560123
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
6-[(7-chloroquinolin-4-yl)amino]hexan-1-ol;hydrochloride
CID 21424794
N-butyl-7-chloroquinolin-4-amine
CID 10037042
5-[(7-chloroquinolin-4-yl)amino]pentanamide
CID 106238925
7-chloro-N-[5-[2-(hexylamino)-6-methylpyrimidin-4-yl]pentyl]quinolin-4-amine
CID 162259942
N-(7-chloroquinolin-4-yl)-N',N'-bis[3-[(7-chloroquinolin-4-yl)amino]propyl]butane-1,4-diamine
CID 130467293
3-hydroxy-6-[4-[(6-methoxyquinolin-4-yl)amino]butyl]pyridine-2-carbaldehyde
CID 139528700
N-(7-chloroquinolin-4-yl)-N'-(1,5-naphthyridin-4-yl)butane-1,4-diamine
CID 155559378
N-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide
CID 42743564
CID 70870191
CID 70870191
4-[(7-chloroquinolin-4-yl)amino]butyl nitrate
CID 54051305

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(7-chloroquinolin-4-yl)amino]butyl]-2-[(E)-hydroxyiminomethyl]pyridin-3-ol?
The IUPAC name of 6-[4-[(7-chloroquinolin-4-yl)amino]butyl]-2-[(E)-hydroxyiminomethyl]pyridin-3-ol (CID 137038269) is 6-[4-[(7-chloroquinolin-4-yl)amino]butyl]-2-[(E)-hydroxyiminomethyl]pyridin-3-ol.
What is the SMILES notation for 6-[4-[(7-chloroquinolin-4-yl)amino]butyl]-2-[(E)-hydroxyiminomethyl]pyridin-3-ol?
The canonical SMILES for 6-[4-[(7-chloroquinolin-4-yl)amino]butyl]-2-[(E)-hydroxyiminomethyl]pyridin-3-ol is O/N=C/c1nc(CCCCNc2ccnc3cc(Cl)ccc23)ccc1O.
What is the InChIKey of 6-[4-[(7-chloroquinolin-4-yl)amino]butyl]-2-[(E)-hydroxyiminomethyl]pyridin-3-ol?
The InChIKey is QXOGDBGYACVHAB-FSJBWODESA-N. The full InChI is InChI=1S/C19H19ClN4O2/c20-13-4-6-15-16(8-10-22-17(15)11-13)21-9-2-1-3-14-5-7-19(25)18(24-14)12-23-26/h4-8,10-12,25-26H,1-3,9H2,(H,21,22)/b23-12+.
What are the key properties of 6-[4-[(7-chloroquinolin-4-yl)amino]butyl]-2-[(E)-hydroxyiminomethyl]pyridin-3-ol?
6-[4-[(7-chloroquinolin-4-yl)amino]butyl]-2-[(E)-hydroxyiminomethyl]pyridin-3-ol has a molecular weight of 370.84 g/mol, XLogP of 4.23, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(7-chloroquinolin-4-yl)amino]butyl]-2-[(E)-hydroxyiminomethyl]pyridin-3-ol is sourced from PubChem (CID 137038269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).