1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)piperidin-3-amine

C17H17Cl2N5 — CID 169001726

IUPAC1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)piperidin-3-amine
SMILESNC1CCCN(c2cc(-n3ccnc3)c3ccc(Cl)c(Cl)c3n2)C1
InChIInChI=1S/C17H17Cl2N5/c18-13-4-3-12-14(24-7-5-21-10-24)8-15(22-17(12)16(13)19)23-6-1-2-11(20)9-23/h3-5,7-8,10-11H,1-2,6,9,20H2
InChIKeyLVVZRCYKHWTNOH-UHFFFAOYSA-N
MW362.26 g/mol
LogP3.65
Rot. Bonds2

About 1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)piperidin-3-amine

1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)piperidin-3-amine (PubChem CID 169001726) has the molecular formula C17H17Cl2N5 and a molecular weight of 362.26 g/mol. Its IUPAC name is 1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)piperidin-3-amine.

Molecular Properties

Compound Name1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)piperidin-3-amine
PubChem CID169001726
Molecular FormulaC17H17Cl2N5
Molecular Weight362.26 g/mol
Exact Mass361.09
IUPAC Name1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)piperidin-3-amine
SMILESNC1CCCN(c2cc(-n3ccnc3)c3ccc(Cl)c(Cl)c3n2)C1
InChIInChI=1S/C17H17Cl2N5/c18-13-4-3-12-14(24-7-5-21-10-24)8-15(22-17(12)16(13)19)23-6-1-2-11(20)9-23/h3-5,7-8,10-11H,1-2,6,9,20H2
InChIKeyLVVZRCYKHWTNOH-UHFFFAOYSA-N
XLogP3.65
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)piperidin-3-amine?
The IUPAC name of 1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)piperidin-3-amine (CID 169001726) is 1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)piperidin-3-amine.
What is the SMILES notation for 1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)piperidin-3-amine?
The canonical SMILES for 1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)piperidin-3-amine is NC1CCCN(c2cc(-n3ccnc3)c3ccc(Cl)c(Cl)c3n2)C1.
What is the InChIKey of 1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)piperidin-3-amine?
The InChIKey is LVVZRCYKHWTNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N5/c18-13-4-3-12-14(24-7-5-21-10-24)8-15(22-17(12)16(13)19)23-6-1-2-11(20)9-23/h3-5,7-8,10-11H,1-2,6,9,20H2.
What are the key properties of 1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)piperidin-3-amine?
1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)piperidin-3-amine has a molecular weight of 362.26 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)piperidin-3-amine is sourced from PubChem (CID 169001726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).