N-[3-(azepan-1-yl)propyl]-7-chloroquinolin-4-amine

C18H24ClN3 — CID 132819923

IUPACN-[3-(azepan-1-yl)propyl]-7-chloroquinolin-4-amine
SMILESClc1ccc2c(NCCCN3CCCCCC3)ccnc2c1
InChIInChI=1S/C18H24ClN3/c19-15-6-7-16-17(8-10-21-18(16)14-15)20-9-5-13-22-11-3-1-2-4-12-22/h6-8,10,14H,1-5,9,11-13H2,(H,20,21)
InChIKeyOSKSKBHBBGJETN-UHFFFAOYSA-N
MW317.86 g/mol
LogP4.57
Rot. Bonds5

About N-[3-(azepan-1-yl)propyl]-7-chloroquinolin-4-amine

N-[3-(azepan-1-yl)propyl]-7-chloroquinolin-4-amine (PubChem CID 132819923) has the molecular formula C18H24ClN3 and a molecular weight of 317.86 g/mol. Its IUPAC name is N-[3-(azepan-1-yl)propyl]-7-chloroquinolin-4-amine.

Molecular Properties

Compound NameN-[3-(azepan-1-yl)propyl]-7-chloroquinolin-4-amine
PubChem CID132819923
Molecular FormulaC18H24ClN3
Molecular Weight317.86 g/mol
Exact Mass317.17
IUPAC NameN-[3-(azepan-1-yl)propyl]-7-chloroquinolin-4-amine
SMILESClc1ccc2c(NCCCN3CCCCCC3)ccnc2c1
InChIInChI=1S/C18H24ClN3/c19-15-6-7-16-17(8-10-21-18(16)14-15)20-9-5-13-22-11-3-1-2-4-12-22/h6-8,10,14H,1-5,9,11-13H2,(H,20,21)
InChIKeyOSKSKBHBBGJETN-UHFFFAOYSA-N
XLogP4.57
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
CID 10913722
7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine
CID 11824896
7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine;1,8-dibromooctane
CID 23016541
N-[3-[4-[3-(butylamino)propyl]piperazin-1-yl]propyl]-7-chloroquinolin-4-amine
CID 11112538
7-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]quinolin-4-amine
CID 46241896
7-chloro-N-[3-[4-[3-(heptylamino)propyl]piperazin-1-yl]propyl]quinolin-4-amine
CID 11048809
N-[3-(4-benzhydrylpiperazin-1-yl)propyl]-7-chloroquinolin-4-amine
CID 46929448
N-[3-(4-benzhydrylidenepiperidin-1-yl)propyl]-7-chloroquinolin-4-amine
CID 11997893
7-chloro-N-[3-(7,14,15-trioxa-11-azadispiro[4.2.58.25]pentadecan-11-yl)propyl]quinolin-4-amine
CID 42629269
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
7-chloro-N-[3-[4-(N-(4-chlorophenyl)anilino)piperidin-1-yl]propyl]quinolin-4-amine
CID 11995957
6-chloro-N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 110433256

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-yl)propyl]-7-chloroquinolin-4-amine?
The IUPAC name of N-[3-(azepan-1-yl)propyl]-7-chloroquinolin-4-amine (CID 132819923) is N-[3-(azepan-1-yl)propyl]-7-chloroquinolin-4-amine.
What is the SMILES notation for N-[3-(azepan-1-yl)propyl]-7-chloroquinolin-4-amine?
The canonical SMILES for N-[3-(azepan-1-yl)propyl]-7-chloroquinolin-4-amine is Clc1ccc2c(NCCCN3CCCCCC3)ccnc2c1.
What is the InChIKey of N-[3-(azepan-1-yl)propyl]-7-chloroquinolin-4-amine?
The InChIKey is OSKSKBHBBGJETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3/c19-15-6-7-16-17(8-10-21-18(16)14-15)20-9-5-13-22-11-3-1-2-4-12-22/h6-8,10,14H,1-5,9,11-13H2,(H,20,21).
What are the key properties of N-[3-(azepan-1-yl)propyl]-7-chloroquinolin-4-amine?
N-[3-(azepan-1-yl)propyl]-7-chloroquinolin-4-amine has a molecular weight of 317.86 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-yl)propyl]-7-chloroquinolin-4-amine is sourced from PubChem (CID 132819923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).