7-chloro-4-(4-imidazol-1-ylpiperidin-1-yl)quinoline

C17H17ClN4 — CID 133301044

IUPAC7-chloro-4-(4-imidazol-1-ylpiperidin-1-yl)quinoline
SMILESClc1ccc2c(N3CCC(n4ccnc4)CC3)ccnc2c1
InChIInChI=1S/C17H17ClN4/c18-13-1-2-15-16(11-13)20-6-3-17(15)21-8-4-14(5-9-21)22-10-7-19-12-22/h1-3,6-7,10-12,14H,4-5,8-9H2
InChIKeyXSDKUWMWQUHMAM-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.93
Rot. Bonds2

About 7-chloro-4-(4-imidazol-1-ylpiperidin-1-yl)quinoline

7-chloro-4-(4-imidazol-1-ylpiperidin-1-yl)quinoline (PubChem CID 133301044) has the molecular formula C17H17ClN4 and a molecular weight of 312.80 g/mol. Its IUPAC name is 7-chloro-4-(4-imidazol-1-ylpiperidin-1-yl)quinoline.

Molecular Properties

Compound Name7-chloro-4-(4-imidazol-1-ylpiperidin-1-yl)quinoline
PubChem CID133301044
Molecular FormulaC17H17ClN4
Molecular Weight312.80 g/mol
Exact Mass312.11
IUPAC Name7-chloro-4-(4-imidazol-1-ylpiperidin-1-yl)quinoline
SMILESClc1ccc2c(N3CCC(n4ccnc4)CC3)ccnc2c1
InChIInChI=1S/C17H17ClN4/c18-13-1-2-15-16(11-13)20-6-3-17(15)21-8-4-14(5-9-21)22-10-7-19-12-22/h1-3,6-7,10-12,14H,4-5,8-9H2
InChIKeyXSDKUWMWQUHMAM-UHFFFAOYSA-N
XLogP3.93
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(4-imidazol-1-ylpiperidin-1-yl)quinoline?
The IUPAC name of 7-chloro-4-(4-imidazol-1-ylpiperidin-1-yl)quinoline (CID 133301044) is 7-chloro-4-(4-imidazol-1-ylpiperidin-1-yl)quinoline.
What is the SMILES notation for 7-chloro-4-(4-imidazol-1-ylpiperidin-1-yl)quinoline?
The canonical SMILES for 7-chloro-4-(4-imidazol-1-ylpiperidin-1-yl)quinoline is Clc1ccc2c(N3CCC(n4ccnc4)CC3)ccnc2c1.
What is the InChIKey of 7-chloro-4-(4-imidazol-1-ylpiperidin-1-yl)quinoline?
The InChIKey is XSDKUWMWQUHMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4/c18-13-1-2-15-16(11-13)20-6-3-17(15)21-8-4-14(5-9-21)22-10-7-19-12-22/h1-3,6-7,10-12,14H,4-5,8-9H2.
What are the key properties of 7-chloro-4-(4-imidazol-1-ylpiperidin-1-yl)quinoline?
7-chloro-4-(4-imidazol-1-ylpiperidin-1-yl)quinoline has a molecular weight of 312.80 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(4-imidazol-1-ylpiperidin-1-yl)quinoline is sourced from PubChem (CID 133301044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).