N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2,2,3,3,4,4,4-heptafluorobutanamide

C16H13ClF7N3O — CID 44544026

IUPACN-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESO=C(NCCCNc1ccnc2cc(Cl)ccc12)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H13ClF7N3O/c17-9-2-3-10-11(4-7-26-12(10)8-9)25-5-1-6-27-13(28)14(18,19)15(20,21)16(22,23)24/h2-4,7-8H,1,5-6H2,(H,25,26)(H,27,28)
InChIKeyZWESFCWDLRMKOS-UHFFFAOYSA-N
MW431.74 g/mol
LogP4.64
Rot. Bonds7

About N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2,2,3,3,4,4,4-heptafluorobutanamide

N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2,2,3,3,4,4,4-heptafluorobutanamide (PubChem CID 44544026) has the molecular formula C16H13ClF7N3O and a molecular weight of 431.74 g/mol. Its IUPAC name is N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2,2,3,3,4,4,4-heptafluorobutanamide.

Molecular Properties

Compound NameN-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2,2,3,3,4,4,4-heptafluorobutanamide
PubChem CID44544026
Molecular FormulaC16H13ClF7N3O
Molecular Weight431.74 g/mol
Exact Mass431.06
IUPAC NameN-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESO=C(NCCCNc1ccnc2cc(Cl)ccc12)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H13ClF7N3O/c17-9-2-3-10-11(4-7-26-12(10)8-9)25-5-1-6-27-13(28)14(18,19)15(20,21)16(22,23)24/h2-4,7-8H,1,5-6H2,(H,25,26)(H,27,28)
InChIKeyZWESFCWDLRMKOS-UHFFFAOYSA-N
XLogP4.64
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.74
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2,2,3,3,4,4,4-heptafluorobutanamide with MolForge

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Related Compounds

N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide
CID 89119814
N-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide
CID 42743564
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
5-[(7-chloroquinolin-4-yl)amino]pentanamide
CID 106238925
4-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]butyl]benzamide
CID 42743599
(E)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-phenylprop-2-enamide
CID 71520744
N-butyl-7-chloroquinolin-4-amine
CID 10037042
N-[6-[(7-chloroquinolin-4-yl)amino]hexyl]hexanamide
CID 42705893
tert-butyl N-[3-[3-[(7-chloroquinolin-4-yl)amino]propyl-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]butyl]amino]propyl]carbamate
CID 118890347
6-[(7-chloroquinolin-4-yl)amino]hexan-1-ol;hydrochloride
CID 21424794
N-butyl-2-[(7-chloroquinolin-4-yl)amino]acetamide;hydrochloride
CID 12742474
2-[3-[(7-chloroquinolin-4-yl)amino]propylamino]ethanethiol
CID 14522863

Frequently Asked Questions

What is the IUPAC name of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
The IUPAC name of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2,2,3,3,4,4,4-heptafluorobutanamide (CID 44544026) is N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2,2,3,3,4,4,4-heptafluorobutanamide.
What is the SMILES notation for N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
The canonical SMILES for N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2,2,3,3,4,4,4-heptafluorobutanamide is O=C(NCCCNc1ccnc2cc(Cl)ccc12)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
The InChIKey is ZWESFCWDLRMKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF7N3O/c17-9-2-3-10-11(4-7-26-12(10)8-9)25-5-1-6-27-13(28)14(18,19)15(20,21)16(22,23)24/h2-4,7-8H,1,5-6H2,(H,25,26)(H,27,28).
What are the key properties of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2,2,3,3,4,4,4-heptafluorobutanamide has a molecular weight of 431.74 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2,2,3,3,4,4,4-heptafluorobutanamide is sourced from PubChem (CID 44544026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).