3-[(6-chloro-2-methoxyacridin-9-yl)amino]propan-1-ol

C17H17ClN2O2 — CID 3967044

IUPAC3-[(6-chloro-2-methoxyacridin-9-yl)amino]propan-1-ol
SMILESCOc1ccc2nc3cc(Cl)ccc3c(NCCCO)c2c1
InChIInChI=1S/C17H17ClN2O2/c1-22-12-4-6-15-14(10-12)17(19-7-2-8-21)13-5-3-11(18)9-16(13)20-15/h3-6,9-10,21H,2,7-8H2,1H3,(H,19,20)
InChIKeySKLTYFULQBSOSK-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.84
Rot. Bonds5

About 3-[(6-chloro-2-methoxyacridin-9-yl)amino]propan-1-ol

3-[(6-chloro-2-methoxyacridin-9-yl)amino]propan-1-ol (PubChem CID 3967044) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 3-[(6-chloro-2-methoxyacridin-9-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(6-chloro-2-methoxyacridin-9-yl)amino]propan-1-ol
PubChem CID3967044
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name3-[(6-chloro-2-methoxyacridin-9-yl)amino]propan-1-ol
SMILESCOc1ccc2nc3cc(Cl)ccc3c(NCCCO)c2c1
InChIInChI=1S/C17H17ClN2O2/c1-22-12-4-6-15-14(10-12)17(19-7-2-8-21)13-5-3-11(18)9-16(13)20-15/h3-6,9-10,21H,2,7-8H2,1H3,(H,19,20)
InChIKeySKLTYFULQBSOSK-UHFFFAOYSA-N
XLogP3.84
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-2-methoxyacridin-9-yl)amino]propan-1-ol?
The IUPAC name of 3-[(6-chloro-2-methoxyacridin-9-yl)amino]propan-1-ol (CID 3967044) is 3-[(6-chloro-2-methoxyacridin-9-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(6-chloro-2-methoxyacridin-9-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(6-chloro-2-methoxyacridin-9-yl)amino]propan-1-ol is COc1ccc2nc3cc(Cl)ccc3c(NCCCO)c2c1.
What is the InChIKey of 3-[(6-chloro-2-methoxyacridin-9-yl)amino]propan-1-ol?
The InChIKey is SKLTYFULQBSOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-22-12-4-6-15-14(10-12)17(19-7-2-8-21)13-5-3-11(18)9-16(13)20-15/h3-6,9-10,21H,2,7-8H2,1H3,(H,19,20).
What are the key properties of 3-[(6-chloro-2-methoxyacridin-9-yl)amino]propan-1-ol?
3-[(6-chloro-2-methoxyacridin-9-yl)amino]propan-1-ol has a molecular weight of 316.79 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-2-methoxyacridin-9-yl)amino]propan-1-ol is sourced from PubChem (CID 3967044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).