6-[4-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(Z)-hydroxyiminomethyl]pyridin-3-ol

C23H25ClN4O2 — CID 137091337

IUPAC6-[4-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(Z)-hydroxyiminomethyl]pyridin-3-ol
SMILESO/N=C\c1nc(CCCCNc2c3c(nc4ccc(Cl)cc24)CCCC3)ccc1O
InChIInChI=1S/C23H25ClN4O2/c24-15-8-10-20-18(13-15)23(17-6-1-2-7-19(17)28-20)25-12-4-3-5-16-9-11-22(29)21(27-16)14-26-30/h8-11,13-14,29-30H,1-7,12H2,(H,25,28)/b26-14-
InChIKeyAEGVBHAVNJPGMI-WGARJPEWSA-N
MW424.93 g/mol
LogP5.11
Rot. Bonds7

About 6-[4-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(Z)-hydroxyiminomethyl]pyridin-3-ol

6-[4-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(Z)-hydroxyiminomethyl]pyridin-3-ol (PubChem CID 137091337) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is 6-[4-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(Z)-hydroxyiminomethyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[4-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(Z)-hydroxyiminomethyl]pyridin-3-ol
PubChem CID137091337
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC Name6-[4-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(Z)-hydroxyiminomethyl]pyridin-3-ol
SMILESO/N=C\c1nc(CCCCNc2c3c(nc4ccc(Cl)cc24)CCCC3)ccc1O
InChIInChI=1S/C23H25ClN4O2/c24-15-8-10-20-18(13-15)23(17-6-1-2-7-19(17)28-20)25-12-4-3-5-16-9-11-22(29)21(27-16)14-26-30/h8-11,13-14,29-30H,1-7,12H2,(H,25,28)/b26-14-
InChIKeyAEGVBHAVNJPGMI-WGARJPEWSA-N
XLogP5.11
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.93
LogP ≤ 55.11
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'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(Z)-hydroxyiminomethyl]pyridin-3-ol?
The IUPAC name of 6-[4-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(Z)-hydroxyiminomethyl]pyridin-3-ol (CID 137091337) is 6-[4-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(Z)-hydroxyiminomethyl]pyridin-3-ol.
What is the SMILES notation for 6-[4-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(Z)-hydroxyiminomethyl]pyridin-3-ol?
The canonical SMILES for 6-[4-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(Z)-hydroxyiminomethyl]pyridin-3-ol is O/N=C\c1nc(CCCCNc2c3c(nc4ccc(Cl)cc24)CCCC3)ccc1O.
What is the InChIKey of 6-[4-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(Z)-hydroxyiminomethyl]pyridin-3-ol?
The InChIKey is AEGVBHAVNJPGMI-WGARJPEWSA-N. The full InChI is InChI=1S/C23H25ClN4O2/c24-15-8-10-20-18(13-15)23(17-6-1-2-7-19(17)28-20)25-12-4-3-5-16-9-11-22(29)21(27-16)14-26-30/h8-11,13-14,29-30H,1-7,12H2,(H,25,28)/b26-14-.
What are the key properties of 6-[4-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(Z)-hydroxyiminomethyl]pyridin-3-ol?
6-[4-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(Z)-hydroxyiminomethyl]pyridin-3-ol has a molecular weight of 424.93 g/mol, XLogP of 5.11, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(Z)-hydroxyiminomethyl]pyridin-3-ol is sourced from PubChem (CID 137091337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).