N-(3-aminopropyl)-N-(7-chloroquinolin-4-yl)-2,2,3,3,4,4,4-heptafluorobutanamide

C16H13ClF7N3O — CID 87205570

IUPACN-(3-aminopropyl)-N-(7-chloroquinolin-4-yl)-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESNCCCN(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C16H13ClF7N3O/c17-9-2-3-10-11(8-9)26-6-4-12(10)27(7-1-5-25)13(28)14(18,19)15(20,21)16(22,23)24/h2-4,6,8H,1,5,7,25H2
InChIKeyNKEAGUSVZWYWTQ-UHFFFAOYSA-N
MW431.74 g/mol
LogP4.40
Rot. Bonds6

About N-(3-aminopropyl)-N-(7-chloroquinolin-4-yl)-2,2,3,3,4,4,4-heptafluorobutanamide

N-(3-aminopropyl)-N-(7-chloroquinolin-4-yl)-2,2,3,3,4,4,4-heptafluorobutanamide (PubChem CID 87205570) has the molecular formula C16H13ClF7N3O and a molecular weight of 431.74 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(7-chloroquinolin-4-yl)-2,2,3,3,4,4,4-heptafluorobutanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(7-chloroquinolin-4-yl)-2,2,3,3,4,4,4-heptafluorobutanamide
PubChem CID87205570
Molecular FormulaC16H13ClF7N3O
Molecular Weight431.74 g/mol
Exact Mass431.06
IUPAC NameN-(3-aminopropyl)-N-(7-chloroquinolin-4-yl)-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESNCCCN(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C16H13ClF7N3O/c17-9-2-3-10-11(8-9)26-6-4-12(10)27(7-1-5-25)13(28)14(18,19)15(20,21)16(22,23)24/h2-4,6,8H,1,5,7,25H2
InChIKeyNKEAGUSVZWYWTQ-UHFFFAOYSA-N
XLogP4.40
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.74
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-N-(7-chloroquinolin-4-yl)-2,3-bis(trifluoromethyl)benzamide
CID 87205560
N',N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine
CID 57117786
N'-(7-chloroquinolin-4-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494340
N'-(7-chloroquinolin-4-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 60869676
N'-(7-chloroquinolin-4-yl)-N'-[3-(diethylamino)propyl]propane-1,3-diamine
CID 66921220
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 44544026
2-[(7-chloroquinolin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484431
N-(7-chloroquinolin-4-yl)-N-[2-(diethylamino)ethyl]propanamide
CID 20753586
N-(3-aminopropyl)-N-(7-chloroquinolin-4-yl)-2-cyclohexylbenzenecarbothioamide
CID 87205562
2-[(7-chloroquinolin-4-yl)-methylamino]ethanol
CID 60631611
N-[2-[2-[acetyl-(7-chloroquinolin-4-yl)amino]ethyl-methylamino]ethyl]-N-(7-methylquinolin-4-yl)acetamide
CID 161124941
5-[(7-chloroquinolin-4-yl)-methylamino]pentan-1-ol
CID 107203509

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(7-chloroquinolin-4-yl)-2,2,3,3,4,4,4-heptafluorobutanamide?
The IUPAC name of N-(3-aminopropyl)-N-(7-chloroquinolin-4-yl)-2,2,3,3,4,4,4-heptafluorobutanamide (CID 87205570) is N-(3-aminopropyl)-N-(7-chloroquinolin-4-yl)-2,2,3,3,4,4,4-heptafluorobutanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(7-chloroquinolin-4-yl)-2,2,3,3,4,4,4-heptafluorobutanamide?
The canonical SMILES for N-(3-aminopropyl)-N-(7-chloroquinolin-4-yl)-2,2,3,3,4,4,4-heptafluorobutanamide is NCCCN(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c1ccnc2cc(Cl)ccc12.
What is the InChIKey of N-(3-aminopropyl)-N-(7-chloroquinolin-4-yl)-2,2,3,3,4,4,4-heptafluorobutanamide?
The InChIKey is NKEAGUSVZWYWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF7N3O/c17-9-2-3-10-11(8-9)26-6-4-12(10)27(7-1-5-25)13(28)14(18,19)15(20,21)16(22,23)24/h2-4,6,8H,1,5,7,25H2.
What are the key properties of N-(3-aminopropyl)-N-(7-chloroquinolin-4-yl)-2,2,3,3,4,4,4-heptafluorobutanamide?
N-(3-aminopropyl)-N-(7-chloroquinolin-4-yl)-2,2,3,3,4,4,4-heptafluorobutanamide has a molecular weight of 431.74 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(7-chloroquinolin-4-yl)-2,2,3,3,4,4,4-heptafluorobutanamide is sourced from PubChem (CID 87205570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).