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

C16H21N3O — CID 61340085

IUPACN-(3-morpholin-4-ylpropyl)quinolin-4-amine
SMILESc1ccc2c(NCCCN3CCOCC3)ccnc2c1
InChIInChI=1S/C16H21N3O/c1-2-5-15-14(4-1)16(6-8-18-15)17-7-3-9-19-10-12-20-13-11-19/h1-2,4-6,8H,3,7,9-13H2,(H,17,18)
InChIKeyXCISDRNQUKJPME-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.37
Rot. Bonds5

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

N-(3-morpholin-4-ylpropyl)quinolin-4-amine (PubChem CID 61340085) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)quinolin-4-amine.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)quinolin-4-amine
PubChem CID61340085
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(3-morpholin-4-ylpropyl)quinolin-4-amine
SMILESc1ccc2c(NCCCN3CCOCC3)ccnc2c1
InChIInChI=1S/C16H21N3O/c1-2-5-15-14(4-1)16(6-8-18-15)17-7-3-9-19-10-12-20-13-11-19/h1-2,4-6,8H,3,7,9-13H2,(H,17,18)
InChIKeyXCISDRNQUKJPME-UHFFFAOYSA-N
XLogP2.37
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.37
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

N-(3-piperazin-1-ylpropyl)quinolin-4-amine
CID 61339738
6-methyl-N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 133466881
6-chloro-N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 110433256
3-morpholin-4-yl-N-(quinolin-4-ylmethyl)propan-1-amine
CID 63850211
6-chloro-N-(5-morpholin-4-ylpentyl)quinolin-4-amine
CID 134696041
5-N-(3-morpholin-4-ylpropyl)quinoline-5,8-diamine
CID 43449552
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
2-chloro-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 22692931
7-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]quinolin-4-amine
CID 46241896
N-(5-chloropentyl)quinolin-4-amine
CID 107320544
N'-quinolin-4-ylpentane-1,5-diamine
CID 107323516
2-hydrazinyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 66572559

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)quinolin-4-amine?
The IUPAC name of N-(3-morpholin-4-ylpropyl)quinolin-4-amine (CID 61340085) is N-(3-morpholin-4-ylpropyl)quinolin-4-amine.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)quinolin-4-amine?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)quinolin-4-amine is c1ccc2c(NCCCN3CCOCC3)ccnc2c1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)quinolin-4-amine?
The InChIKey is XCISDRNQUKJPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-5-15-14(4-1)16(6-8-18-15)17-7-3-9-19-10-12-20-13-11-19/h1-2,4-6,8H,3,7,9-13H2,(H,17,18).
What are the key properties of N-(3-morpholin-4-ylpropyl)quinolin-4-amine?
N-(3-morpholin-4-ylpropyl)quinolin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)quinolin-4-amine is sourced from PubChem (CID 61340085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).