CID 10553106

C26H31ClFeN4+2 — CID 10553106

IUPAC—
SMILESCN(C)C[C]1[CH][CH][CH][C]1CNCCCNc1ccnc2cc(Cl)ccc12.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C21H26ClN4.C5H5.Fe/c1-26(2)15-17-6-3-5-16(17)14-23-10-4-11-24-20-9-12-25-21-13-18(22)7-8-19(20)21;1-2-4-5-3-1;/h3,5-9,12-13,23H,4,10-11,14-15H2,1-2H3,(H,24,25);1-5H;/q;;+2
InChIKeyCEAUQOVLVRLPGJ-UHFFFAOYSA-N
MW490.86 g/mol
LogP4.64
Rot. Bonds9

About CID 10553106

CID 10553106 (PubChem CID 10553106) has the molecular formula C26H31ClFeN4+2 and a molecular weight of 490.86 g/mol.

Molecular Properties

Compound NameCID 10553106
PubChem CID10553106
Molecular FormulaC26H31ClFeN4+2
Molecular Weight490.86 g/mol
Exact Mass490.16
IUPAC Name—
SMILESCN(C)C[C]1[CH][CH][CH][C]1CNCCCNc1ccnc2cc(Cl)ccc12.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C21H26ClN4.C5H5.Fe/c1-26(2)15-17-6-3-5-16(17)14-23-10-4-11-24-20-9-12-25-21-13-18(22)7-8-19(20)21;1-2-4-5-3-1;/h3,5-9,12-13,23H,4,10-11,14-15H2,1-2H3,(H,24,25);1-5H;/q;;+2
InChIKeyCEAUQOVLVRLPGJ-UHFFFAOYSA-N
XLogP4.64
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.86
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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CID 11847142
CID 11847142
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N'-(7-chloroquinolin-4-yl)-N-(thiophen-2-ylmethyl)propane-1,3-diamine
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N-butyl-7-chloroquinolin-4-amine
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N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
CID 11847300
CID 11847300
2-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]-4-methoxyphenol
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N'-(7-chloroquinolin-4-yl)-N-[(4-methoxy-3-pyridinyl)methyl]propane-1,3-diamine
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4-bromo-3-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]phenol
CID 162444660

Frequently Asked Questions

What is the IUPAC name of CID 10553106?
The IUPAC name of CID 10553106 (CID 10553106) is not available.
What is the SMILES notation for CID 10553106?
The canonical SMILES for CID 10553106 is CN(C)C[C]1[CH][CH][CH][C]1CNCCCNc1ccnc2cc(Cl)ccc12.[CH]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 10553106?
The InChIKey is CEAUQOVLVRLPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN4.C5H5.Fe/c1-26(2)15-17-6-3-5-16(17)14-23-10-4-11-24-20-9-12-25-21-13-18(22)7-8-19(20)21;1-2-4-5-3-1;/h3,5-9,12-13,23H,4,10-11,14-15H2,1-2H3,(H,24,25);1-5H;/q;;+2.
What are the key properties of CID 10553106?
CID 10553106 has a molecular weight of 490.86 g/mol, XLogP of 4.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10553106 is sourced from PubChem (CID 10553106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).