5-(diethylamino)pentan-2-yl-(7-fluoroquinolin-4-yl)carbamic acid

C19H26FN3O2 — CID 67124691

IUPAC5-(diethylamino)pentan-2-yl-(7-fluoroquinolin-4-yl)carbamic acid
SMILESCCN(CC)CCCC(C)N(C(=O)O)c1ccnc2cc(F)ccc12
InChIInChI=1S/C19H26FN3O2/c1-4-22(5-2)12-6-7-14(3)23(19(24)25)18-10-11-21-17-13-15(20)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,24,25)
InChIKeyWTXDKFPLMUJKQP-UHFFFAOYSA-N
MW347.43 g/mol
LogP4.37
Rot. Bonds8

About 5-(diethylamino)pentan-2-yl-(7-fluoroquinolin-4-yl)carbamic acid

5-(diethylamino)pentan-2-yl-(7-fluoroquinolin-4-yl)carbamic acid (PubChem CID 67124691) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 5-(diethylamino)pentan-2-yl-(7-fluoroquinolin-4-yl)carbamic acid.

Molecular Properties

Compound Name5-(diethylamino)pentan-2-yl-(7-fluoroquinolin-4-yl)carbamic acid
PubChem CID67124691
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name5-(diethylamino)pentan-2-yl-(7-fluoroquinolin-4-yl)carbamic acid
SMILESCCN(CC)CCCC(C)N(C(=O)O)c1ccnc2cc(F)ccc12
InChIInChI=1S/C19H26FN3O2/c1-4-22(5-2)12-6-7-14(3)23(19(24)25)18-10-11-21-17-13-15(20)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,24,25)
InChIKeyWTXDKFPLMUJKQP-UHFFFAOYSA-N
XLogP4.37
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

S-(3-nitrosopropyl) N-(7-chloroquinolin-4-yl)-N-[5-(diethylamino)pentan-2-yl]carbamothioate
CID 145307316
[1-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxy-1-phosphonoethyl]phosphonic acid
CID 129120656
N-ethyl-5-(7-fluoroquinolin-4-yl)-4-methyl-N-propylpentan-1-amine
CID 157317352
S-(4-amino-4-oxobutyl) N-(7-chloroquinolin-4-yl)-N-[5-[ethyl(2-hydroxyethyl)amino]pentan-2-yl]carbamothioate
CID 145307333
6-[amino-(7-fluoroquinolin-4-yl)amino]-3-ethylhexan-1-ol
CID 69170919
N-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-methylquinoline-4-carboxamide
CID 42750300
[[4-[(7-bromoquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxybutanoylamino]-phosphonomethyl]phosphonic acid
CID 129120640
2-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxybutanoylamino]-2-phosphonoacetic acid
CID 129120621
[[6-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxyhexanoylamino]-phosphonomethyl]phosphonic acid
CID 129120673
1-N,1-N-diethyl-2-N-(7-fluoroquinolin-4-yl)propane-1,2-diamine
CID 10778800
butanedioic acid;4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 69171566
[3-[4-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxybutanoylamino]-1-phosphonopropyl]phosphonic acid
CID 129120630

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)pentan-2-yl-(7-fluoroquinolin-4-yl)carbamic acid?
The IUPAC name of 5-(diethylamino)pentan-2-yl-(7-fluoroquinolin-4-yl)carbamic acid (CID 67124691) is 5-(diethylamino)pentan-2-yl-(7-fluoroquinolin-4-yl)carbamic acid.
What is the SMILES notation for 5-(diethylamino)pentan-2-yl-(7-fluoroquinolin-4-yl)carbamic acid?
The canonical SMILES for 5-(diethylamino)pentan-2-yl-(7-fluoroquinolin-4-yl)carbamic acid is CCN(CC)CCCC(C)N(C(=O)O)c1ccnc2cc(F)ccc12.
What is the InChIKey of 5-(diethylamino)pentan-2-yl-(7-fluoroquinolin-4-yl)carbamic acid?
The InChIKey is WTXDKFPLMUJKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-4-22(5-2)12-6-7-14(3)23(19(24)25)18-10-11-21-17-13-15(20)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,24,25).
What are the key properties of 5-(diethylamino)pentan-2-yl-(7-fluoroquinolin-4-yl)carbamic acid?
5-(diethylamino)pentan-2-yl-(7-fluoroquinolin-4-yl)carbamic acid has a molecular weight of 347.43 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)pentan-2-yl-(7-fluoroquinolin-4-yl)carbamic acid is sourced from PubChem (CID 67124691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).