6-chloro-N-(3-morpholin-4-ylpropyl)quinolin-4-amine

C16H20ClN3O — CID 110433256

IUPAC6-chloro-N-(3-morpholin-4-ylpropyl)quinolin-4-amine
SMILESClc1ccc2nccc(NCCCN3CCOCC3)c2c1
InChIInChI=1S/C16H20ClN3O/c17-13-2-3-15-14(12-13)16(4-6-19-15)18-5-1-7-20-8-10-21-11-9-20/h2-4,6,12H,1,5,7-11H2,(H,18,19)
InChIKeyMMIARZFNNVCBJJ-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.02
Rot. Bonds5

About 6-chloro-N-(3-morpholin-4-ylpropyl)quinolin-4-amine

6-chloro-N-(3-morpholin-4-ylpropyl)quinolin-4-amine (PubChem CID 110433256) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 6-chloro-N-(3-morpholin-4-ylpropyl)quinolin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3-morpholin-4-ylpropyl)quinolin-4-amine
PubChem CID110433256
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name6-chloro-N-(3-morpholin-4-ylpropyl)quinolin-4-amine
SMILESClc1ccc2nccc(NCCCN3CCOCC3)c2c1
InChIInChI=1S/C16H20ClN3O/c17-13-2-3-15-14(12-13)16(4-6-19-15)18-5-1-7-20-8-10-21-11-9-20/h2-4,6,12H,1,5,7-11H2,(H,18,19)
InChIKeyMMIARZFNNVCBJJ-UHFFFAOYSA-N
XLogP3.02
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(5-morpholin-4-ylpentyl)quinolin-4-amine
CID 134696041
6-methyl-N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 133466881
N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 61340085
4-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-morpholin-4-yl-2-N-(3-morpholin-4-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 46227112
7-chloro-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
CID 10913722
N-[3-(azepan-1-yl)propyl]-7-chloroquinolin-4-amine
CID 132819923
2-N-(4-chlorophenyl)-4-N-[4-[(7-chloroquinolin-4-yl)amino]phenyl]-6-N-(3-morpholin-4-ylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 90666705
7-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]quinolin-4-amine
CID 46241896
7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine
CID 11824896
N-[3-[4-[3-(butylamino)propyl]piperazin-1-yl]propyl]-7-chloroquinolin-4-amine
CID 11112538
6-chloro-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 70854811
6-chloro-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)quinolin-4-amine
CID 91938150

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-morpholin-4-ylpropyl)quinolin-4-amine?
The IUPAC name of 6-chloro-N-(3-morpholin-4-ylpropyl)quinolin-4-amine (CID 110433256) is 6-chloro-N-(3-morpholin-4-ylpropyl)quinolin-4-amine.
What is the SMILES notation for 6-chloro-N-(3-morpholin-4-ylpropyl)quinolin-4-amine?
The canonical SMILES for 6-chloro-N-(3-morpholin-4-ylpropyl)quinolin-4-amine is Clc1ccc2nccc(NCCCN3CCOCC3)c2c1.
What is the InChIKey of 6-chloro-N-(3-morpholin-4-ylpropyl)quinolin-4-amine?
The InChIKey is MMIARZFNNVCBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c17-13-2-3-15-14(12-13)16(4-6-19-15)18-5-1-7-20-8-10-21-11-9-20/h2-4,6,12H,1,5,7-11H2,(H,18,19).
What are the key properties of 6-chloro-N-(3-morpholin-4-ylpropyl)quinolin-4-amine?
6-chloro-N-(3-morpholin-4-ylpropyl)quinolin-4-amine has a molecular weight of 305.81 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-morpholin-4-ylpropyl)quinolin-4-amine is sourced from PubChem (CID 110433256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).