N-ethyl-5-(7-fluoroquinolin-4-yl)-4-methyl-N-propylpentan-1-amine

C20H29FN2 — CID 157317352

IUPACN-ethyl-5-(7-fluoroquinolin-4-yl)-4-methyl-N-propylpentan-1-amine
SMILESCCCN(CC)CCCC(C)Cc1ccnc2cc(F)ccc12
InChIInChI=1S/C20H29FN2/c1-4-12-23(5-2)13-6-7-16(3)14-17-10-11-22-20-15-18(21)8-9-19(17)20/h8-11,15-16H,4-7,12-14H2,1-3H3
InChIKeyBDTLMZCTUDWTMC-UHFFFAOYSA-N
MW316.46 g/mol
LogP5.06
Rot. Bonds9

About N-ethyl-5-(7-fluoroquinolin-4-yl)-4-methyl-N-propylpentan-1-amine

N-ethyl-5-(7-fluoroquinolin-4-yl)-4-methyl-N-propylpentan-1-amine (PubChem CID 157317352) has the molecular formula C20H29FN2 and a molecular weight of 316.46 g/mol. Its IUPAC name is N-ethyl-5-(7-fluoroquinolin-4-yl)-4-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound NameN-ethyl-5-(7-fluoroquinolin-4-yl)-4-methyl-N-propylpentan-1-amine
PubChem CID157317352
Molecular FormulaC20H29FN2
Molecular Weight316.46 g/mol
Exact Mass316.23
IUPAC NameN-ethyl-5-(7-fluoroquinolin-4-yl)-4-methyl-N-propylpentan-1-amine
SMILESCCCN(CC)CCCC(C)Cc1ccnc2cc(F)ccc12
InChIInChI=1S/C20H29FN2/c1-4-12-23(5-2)13-6-7-16(3)14-17-10-11-22-20-15-18(21)8-9-19(17)20/h8-11,15-16H,4-7,12-14H2,1-3H3
InChIKeyBDTLMZCTUDWTMC-UHFFFAOYSA-N
XLogP5.06
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.46
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(7-fluoroquinolin-4-yl)-4-methyl-N-propylpentan-1-amine?
The IUPAC name of N-ethyl-5-(7-fluoroquinolin-4-yl)-4-methyl-N-propylpentan-1-amine (CID 157317352) is N-ethyl-5-(7-fluoroquinolin-4-yl)-4-methyl-N-propylpentan-1-amine.
What is the SMILES notation for N-ethyl-5-(7-fluoroquinolin-4-yl)-4-methyl-N-propylpentan-1-amine?
The canonical SMILES for N-ethyl-5-(7-fluoroquinolin-4-yl)-4-methyl-N-propylpentan-1-amine is CCCN(CC)CCCC(C)Cc1ccnc2cc(F)ccc12.
What is the InChIKey of N-ethyl-5-(7-fluoroquinolin-4-yl)-4-methyl-N-propylpentan-1-amine?
The InChIKey is BDTLMZCTUDWTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2/c1-4-12-23(5-2)13-6-7-16(3)14-17-10-11-22-20-15-18(21)8-9-19(17)20/h8-11,15-16H,4-7,12-14H2,1-3H3.
What are the key properties of N-ethyl-5-(7-fluoroquinolin-4-yl)-4-methyl-N-propylpentan-1-amine?
N-ethyl-5-(7-fluoroquinolin-4-yl)-4-methyl-N-propylpentan-1-amine has a molecular weight of 316.46 g/mol, XLogP of 5.06, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(7-fluoroquinolin-4-yl)-4-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 157317352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).