N-(3-aminopropyl)-2-cyclopropyl-6-fluoroquinoline-4-carboxamide

C16H18FN3O — CID 119406380

IUPACN-(3-aminopropyl)-2-cyclopropyl-6-fluoroquinoline-4-carboxamide
SMILESNCCCNC(=O)c1cc(C2CC2)nc2ccc(F)cc12
InChIInChI=1S/C16H18FN3O/c17-11-4-5-14-12(8-11)13(16(21)19-7-1-6-18)9-15(20-14)10-2-3-10/h4-5,8-10H,1-3,6-7,18H2,(H,19,21)
InChIKeyQZFJSZYSHCGZAM-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.33
Rot. Bonds5

About N-(3-aminopropyl)-2-cyclopropyl-6-fluoroquinoline-4-carboxamide

N-(3-aminopropyl)-2-cyclopropyl-6-fluoroquinoline-4-carboxamide (PubChem CID 119406380) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-cyclopropyl-6-fluoroquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-cyclopropyl-6-fluoroquinoline-4-carboxamide
PubChem CID119406380
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC NameN-(3-aminopropyl)-2-cyclopropyl-6-fluoroquinoline-4-carboxamide
SMILESNCCCNC(=O)c1cc(C2CC2)nc2ccc(F)cc12
InChIInChI=1S/C16H18FN3O/c17-11-4-5-14-12(8-11)13(16(21)19-7-1-6-18)9-15(20-14)10-2-3-10/h4-5,8-10H,1-3,6-7,18H2,(H,19,21)
InChIKeyQZFJSZYSHCGZAM-UHFFFAOYSA-N
XLogP2.33
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]heptanoic acid
CID 119350783
N-(3-aminopropyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride
CID 119408408
2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]acetic acid
CID 119350246
2-cyclopropyl-6-fluoro-N-[2-[(R)-methylsulfinyl]ethyl]quinoline-4-carboxamide
CID 95782044
N-(2-aminoethyl)-6-chloro-2-cyclopropylquinoline-4-carboxamide
CID 119384244
2-cyclopropyl-6-fluoroquinoline-4-carboxamide
CID 71870785
2-cyclopropyl-6-fluoro-N-(4-hydroxy-2-methylpentyl)quinoline-4-carboxamide
CID 111470297
2-cyclopropyl-6-fluoro-N-methylsulfonylquinoline-4-carboxamide
CID 146154707
2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]-2-methylpropanoic acid
CID 120515978
N-(1-aminopropan-2-yl)-2-cyclopropyl-6-fluoro-N-methylquinoline-4-carboxamide
CID 119582736
2-cyclopropyl-6-fluoro-N-(2-thiophen-2-ylpropyl)quinoline-4-carboxamide
CID 166216439
6-chloro-2-cyclopropyl-N-[2-(ethylamino)ethyl]quinoline-4-carboxamide
CID 119507689

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-cyclopropyl-6-fluoroquinoline-4-carboxamide?
The IUPAC name of N-(3-aminopropyl)-2-cyclopropyl-6-fluoroquinoline-4-carboxamide (CID 119406380) is N-(3-aminopropyl)-2-cyclopropyl-6-fluoroquinoline-4-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-2-cyclopropyl-6-fluoroquinoline-4-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-2-cyclopropyl-6-fluoroquinoline-4-carboxamide is NCCCNC(=O)c1cc(C2CC2)nc2ccc(F)cc12.
What is the InChIKey of N-(3-aminopropyl)-2-cyclopropyl-6-fluoroquinoline-4-carboxamide?
The InChIKey is QZFJSZYSHCGZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c17-11-4-5-14-12(8-11)13(16(21)19-7-1-6-18)9-15(20-14)10-2-3-10/h4-5,8-10H,1-3,6-7,18H2,(H,19,21).
What are the key properties of N-(3-aminopropyl)-2-cyclopropyl-6-fluoroquinoline-4-carboxamide?
N-(3-aminopropyl)-2-cyclopropyl-6-fluoroquinoline-4-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-cyclopropyl-6-fluoroquinoline-4-carboxamide is sourced from PubChem (CID 119406380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).