N-but-3-en-2-yl-8-fluoro-2-methylquinolin-4-amine

C14H15FN2 — CID 133369006

IUPACN-but-3-en-2-yl-8-fluoro-2-methylquinolin-4-amine
SMILESC=CC(C)Nc1cc(C)nc2c(F)cccc12
InChIInChI=1S/C14H15FN2/c1-4-9(2)16-13-8-10(3)17-14-11(13)6-5-7-12(14)15/h4-9H,1H2,2-3H3,(H,16,17)
InChIKeyZLYGHFARCIDMEO-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.67
Rot. Bonds3

About N-but-3-en-2-yl-8-fluoro-2-methylquinolin-4-amine

N-but-3-en-2-yl-8-fluoro-2-methylquinolin-4-amine (PubChem CID 133369006) has the molecular formula C14H15FN2 and a molecular weight of 230.29 g/mol. Its IUPAC name is N-but-3-en-2-yl-8-fluoro-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-but-3-en-2-yl-8-fluoro-2-methylquinolin-4-amine
PubChem CID133369006
Molecular FormulaC14H15FN2
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC NameN-but-3-en-2-yl-8-fluoro-2-methylquinolin-4-amine
SMILESC=CC(C)Nc1cc(C)nc2c(F)cccc12
InChIInChI=1S/C14H15FN2/c1-4-9(2)16-13-8-10(3)17-14-11(13)6-5-7-12(14)15/h4-9H,1H2,2-3H3,(H,16,17)
InChIKeyZLYGHFARCIDMEO-UHFFFAOYSA-N
XLogP3.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-but-3-en-2-yl-8-methoxy-2-methylquinolin-4-amine
CID 133369005
8-fluoro-2-methyl-N-(1-pyridin-4-ylpropyl)quinolin-4-amine
CID 133394408
8-fluoro-N-(2-methoxy-2-methylpropyl)-2-methylquinolin-4-amine
CID 133368255
N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-8-fluoro-2-methylquinolin-4-amine
CID 133394548
6-[(8-fluoro-2-methylquinolin-4-yl)amino]hexan-1-ol
CID 133434482
3-[[(8-fluoro-2-methylquinolin-4-yl)amino]methyl]pentan-1-ol
CID 133368901
1-[(8-fluoro-2-methylquinolin-4-yl)amino]-3-methoxypropan-2-ol
CID 133394041
3-[(8-fluoro-2-methylquinolin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122060920
8-fluoro-2-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]quinolin-4-amine
CID 133394032
8-fluoro-2-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)quinolin-4-amine
CID 133394200
1-[(8-fluoro-2-methylquinolin-4-yl)amino]-2-thiophen-2-ylpropan-2-ol
CID 133394254
8-fluoro-2-methyl-N-[4-(1,2,4-triazol-4-yl)butyl]quinolin-4-amine
CID 133368296

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-8-fluoro-2-methylquinolin-4-amine?
The IUPAC name of N-but-3-en-2-yl-8-fluoro-2-methylquinolin-4-amine (CID 133369006) is N-but-3-en-2-yl-8-fluoro-2-methylquinolin-4-amine.
What is the SMILES notation for N-but-3-en-2-yl-8-fluoro-2-methylquinolin-4-amine?
The canonical SMILES for N-but-3-en-2-yl-8-fluoro-2-methylquinolin-4-amine is C=CC(C)Nc1cc(C)nc2c(F)cccc12.
What is the InChIKey of N-but-3-en-2-yl-8-fluoro-2-methylquinolin-4-amine?
The InChIKey is ZLYGHFARCIDMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2/c1-4-9(2)16-13-8-10(3)17-14-11(13)6-5-7-12(14)15/h4-9H,1H2,2-3H3,(H,16,17).
What are the key properties of N-but-3-en-2-yl-8-fluoro-2-methylquinolin-4-amine?
N-but-3-en-2-yl-8-fluoro-2-methylquinolin-4-amine has a molecular weight of 230.29 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-8-fluoro-2-methylquinolin-4-amine is sourced from PubChem (CID 133369006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).