7-chloro-4-(1,4-diazepan-1-yl)quinoline

C14H16ClN3 — CID 3657789

IUPAC7-chloro-4-(1,4-diazepan-1-yl)quinoline
SMILESClc1ccc2c(N3CCCNCC3)ccnc2c1
InChIInChI=1S/C14H16ClN3/c15-11-2-3-12-13(10-11)17-6-4-14(12)18-8-1-5-16-7-9-18/h2-4,6,10,16H,1,5,7-9H2
InChIKeyACGOVCPNPCHPKW-UHFFFAOYSA-N
MW261.76 g/mol
LogP2.69
Rot. Bonds1

About 7-chloro-4-(1,4-diazepan-1-yl)quinoline

7-chloro-4-(1,4-diazepan-1-yl)quinoline (PubChem CID 3657789) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 7-chloro-4-(1,4-diazepan-1-yl)quinoline.

Molecular Properties

Compound Name7-chloro-4-(1,4-diazepan-1-yl)quinoline
PubChem CID3657789
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name7-chloro-4-(1,4-diazepan-1-yl)quinoline
SMILESClc1ccc2c(N3CCCNCC3)ccnc2c1
InChIInChI=1S/C14H16ClN3/c15-11-2-3-12-13(10-11)17-6-4-14(12)18-8-1-5-16-7-9-18/h2-4,6,10,16H,1,5,7-9H2
InChIKeyACGOVCPNPCHPKW-UHFFFAOYSA-N
XLogP2.69
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(1,4-diazepan-1-yl)quinoline?
The IUPAC name of 7-chloro-4-(1,4-diazepan-1-yl)quinoline (CID 3657789) is 7-chloro-4-(1,4-diazepan-1-yl)quinoline.
What is the SMILES notation for 7-chloro-4-(1,4-diazepan-1-yl)quinoline?
The canonical SMILES for 7-chloro-4-(1,4-diazepan-1-yl)quinoline is Clc1ccc2c(N3CCCNCC3)ccnc2c1.
What is the InChIKey of 7-chloro-4-(1,4-diazepan-1-yl)quinoline?
The InChIKey is ACGOVCPNPCHPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c15-11-2-3-12-13(10-11)17-6-4-14(12)18-8-1-5-16-7-9-18/h2-4,6,10,16H,1,5,7-9H2.
What are the key properties of 7-chloro-4-(1,4-diazepan-1-yl)quinoline?
7-chloro-4-(1,4-diazepan-1-yl)quinoline has a molecular weight of 261.76 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(1,4-diazepan-1-yl)quinoline is sourced from PubChem (CID 3657789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).