1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanamine

C14H14FN3O2 — CID 83164334

IUPAC1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanamine
SMILESNC(Cc1c(F)cc([N+](=O)[O-])c2cccnc12)C1CC1
InChIInChI=1S/C14H14FN3O2/c15-11-7-13(18(19)20)9-2-1-5-17-14(9)10(11)6-12(16)8-3-4-8/h1-2,5,7-8,12H,3-4,6,16H2
InChIKeyYOEVWTZVUPEGQP-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.56
Rot. Bonds4

About 1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanamine

1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanamine (PubChem CID 83164334) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanamine
PubChem CID83164334
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanamine
SMILESNC(Cc1c(F)cc([N+](=O)[O-])c2cccnc12)C1CC1
InChIInChI=1S/C14H14FN3O2/c15-11-7-13(18(19)20)9-2-1-5-17-14(9)10(11)6-12(16)8-3-4-8/h1-2,5,7-8,12H,3-4,6,16H2
InChIKeyYOEVWTZVUPEGQP-UHFFFAOYSA-N
XLogP2.56
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanol
CID 83165720
1-(7-fluoro-5-nitroquinolin-8-yl)-N-methylpropan-2-amine
CID 83163979
1-(7-fluoro-5-nitroquinolin-8-yl)pentan-2-ol
CID 83165223
8-(2-bromo-3-methoxypropyl)-7-fluoro-5-nitroquinoline
CID 83166218
8-(2-chloro-2-cyclopropylethyl)-5-nitroquinoline
CID 63352924
3-(7-fluoro-5-nitroquinolin-8-yl)oxypropan-1-amine
CID 83166049
N-cyclohex-3-en-1-yl-7-fluoro-5-nitroquinolin-8-amine
CID 83164838
2-[cyclopropyl-(7-fluoro-5-nitroquinolin-8-yl)amino]ethanol
CID 83164161
N'-(7-fluoro-5-nitroquinolin-8-yl)-N'-methylethane-1,2-diamine
CID 83165215
5-(2-chloro-2-cyclopropylethyl)-8-nitroquinoline
CID 55189970
N-(dicyclopropylmethyl)-5-nitroquinolin-8-amine
CID 60723743
3-(7-fluoro-5-nitroquinolin-8-yl)sulfanylbutan-2-ol
CID 107771097

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanamine?
The IUPAC name of 1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanamine (CID 83164334) is 1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanamine?
The canonical SMILES for 1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanamine is NC(Cc1c(F)cc([N+](=O)[O-])c2cccnc12)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanamine?
The InChIKey is YOEVWTZVUPEGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c15-11-7-13(18(19)20)9-2-1-5-17-14(9)10(11)6-12(16)8-3-4-8/h1-2,5,7-8,12H,3-4,6,16H2.
What are the key properties of 1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanamine?
1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanamine has a molecular weight of 275.28 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanamine is sourced from PubChem (CID 83164334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).