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

C15H18N2O — CID 133369005

IUPACN-but-3-en-2-yl-8-methoxy-2-methylquinolin-4-amine
SMILESC=CC(C)Nc1cc(C)nc2c(OC)cccc12
InChIInChI=1S/C15H18N2O/c1-5-10(2)16-13-9-11(3)17-15-12(13)7-6-8-14(15)18-4/h5-10H,1H2,2-4H3,(H,16,17)
InChIKeyUJBOUSKDTHVXLK-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.54
Rot. Bonds4

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

N-but-3-en-2-yl-8-methoxy-2-methylquinolin-4-amine (PubChem CID 133369005) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-but-3-en-2-yl-8-methoxy-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-but-3-en-2-yl-8-methoxy-2-methylquinolin-4-amine
PubChem CID133369005
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-but-3-en-2-yl-8-methoxy-2-methylquinolin-4-amine
SMILESC=CC(C)Nc1cc(C)nc2c(OC)cccc12
InChIInChI=1S/C15H18N2O/c1-5-10(2)16-13-9-11(3)17-15-12(13)7-6-8-14(15)18-4/h5-10H,1H2,2-4H3,(H,16,17)
InChIKeyUJBOUSKDTHVXLK-UHFFFAOYSA-N
XLogP3.54
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-fluoro-2-methylquinolin-4-amine
CID 133369006
8-methoxy-2-methyl-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine
CID 133369312
2-[(8-methoxy-2-methylquinolin-4-yl)amino]phenol
CID 939061
N-(3,4-dimethylphenyl)-8-methoxy-2-methylquinolin-4-amine;hydrochloride
CID 18590560
8-methoxy-2-methyl-N-(3-methylphenyl)quinolin-4-amine
CID 110435559
8-methoxy-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinolin-4-amine
CID 133394542
N-cyclopent-3-en-1-yl-8-methoxy-2-methylquinolin-4-amine
CID 133369212
4-[(8-methoxy-2-methylquinolin-4-yl)amino]-4-phenylbutan-1-ol
CID 133394349
2-(4,4-difluorocyclohexyl)-2-[(8-methoxy-2-methylquinolin-4-yl)amino]ethanol
CID 167774460
N-(3-chlorophenyl)-8-methoxy-2-methylquinolin-4-amine
CID 23880571
N-(3,5-dimethoxyphenyl)-N'-(8-methoxy-2-methylquinolin-4-yl)ethane-1,2-diamine
CID 167828097
8-methoxy-2-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]quinolin-4-amine
CID 44537227

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-8-methoxy-2-methylquinolin-4-amine?
The IUPAC name of N-but-3-en-2-yl-8-methoxy-2-methylquinolin-4-amine (CID 133369005) is N-but-3-en-2-yl-8-methoxy-2-methylquinolin-4-amine.
What is the SMILES notation for N-but-3-en-2-yl-8-methoxy-2-methylquinolin-4-amine?
The canonical SMILES for N-but-3-en-2-yl-8-methoxy-2-methylquinolin-4-amine is C=CC(C)Nc1cc(C)nc2c(OC)cccc12.
What is the InChIKey of N-but-3-en-2-yl-8-methoxy-2-methylquinolin-4-amine?
The InChIKey is UJBOUSKDTHVXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-5-10(2)16-13-9-11(3)17-15-12(13)7-6-8-14(15)18-4/h5-10H,1H2,2-4H3,(H,16,17).
What are the key properties of N-but-3-en-2-yl-8-methoxy-2-methylquinolin-4-amine?
N-but-3-en-2-yl-8-methoxy-2-methylquinolin-4-amine has a molecular weight of 242.32 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-8-methoxy-2-methylquinolin-4-amine is sourced from PubChem (CID 133369005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).