4-N-(2-chloro-6-methoxyquinolin-8-yl)pentane-1,4-diamine

C15H20ClN3O — CID 90672251

IUPAC4-N-(2-chloro-6-methoxyquinolin-8-yl)pentane-1,4-diamine
SMILESCOc1cc(NC(C)CCCN)c2nc(Cl)ccc2c1
InChIInChI=1S/C15H20ClN3O/c1-10(4-3-7-17)18-13-9-12(20-2)8-11-5-6-14(16)19-15(11)13/h5-6,8-10,18H,3-4,7,17H2,1-2H3
InChIKeyQRCWYYYAVBSVJD-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.44
Rot. Bonds6

About 4-N-(2-chloro-6-methoxyquinolin-8-yl)pentane-1,4-diamine

4-N-(2-chloro-6-methoxyquinolin-8-yl)pentane-1,4-diamine (PubChem CID 90672251) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 4-N-(2-chloro-6-methoxyquinolin-8-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-chloro-6-methoxyquinolin-8-yl)pentane-1,4-diamine
PubChem CID90672251
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name4-N-(2-chloro-6-methoxyquinolin-8-yl)pentane-1,4-diamine
SMILESCOc1cc(NC(C)CCCN)c2nc(Cl)ccc2c1
InChIInChI=1S/C15H20ClN3O/c1-10(4-3-7-17)18-13-9-12(20-2)8-11-5-6-14(16)19-15(11)13/h5-6,8-10,18H,3-4,7,17H2,1-2H3
InChIKeyQRCWYYYAVBSVJD-UHFFFAOYSA-N
XLogP3.44
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-6-methoxyquinolin-8-yl)pentane-1,4-diamine?
The IUPAC name of 4-N-(2-chloro-6-methoxyquinolin-8-yl)pentane-1,4-diamine (CID 90672251) is 4-N-(2-chloro-6-methoxyquinolin-8-yl)pentane-1,4-diamine.
What is the SMILES notation for 4-N-(2-chloro-6-methoxyquinolin-8-yl)pentane-1,4-diamine?
The canonical SMILES for 4-N-(2-chloro-6-methoxyquinolin-8-yl)pentane-1,4-diamine is COc1cc(NC(C)CCCN)c2nc(Cl)ccc2c1.
What is the InChIKey of 4-N-(2-chloro-6-methoxyquinolin-8-yl)pentane-1,4-diamine?
The InChIKey is QRCWYYYAVBSVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-10(4-3-7-17)18-13-9-12(20-2)8-11-5-6-14(16)19-15(11)13/h5-6,8-10,18H,3-4,7,17H2,1-2H3.
What are the key properties of 4-N-(2-chloro-6-methoxyquinolin-8-yl)pentane-1,4-diamine?
4-N-(2-chloro-6-methoxyquinolin-8-yl)pentane-1,4-diamine has a molecular weight of 293.80 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chloro-6-methoxyquinolin-8-yl)pentane-1,4-diamine is sourced from PubChem (CID 90672251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).