N-cyclopent-3-en-1-yl-8-methoxy-2-methylquinolin-4-amine

C16H18N2O — CID 133369212

IUPACN-cyclopent-3-en-1-yl-8-methoxy-2-methylquinolin-4-amine
SMILESCOc1cccc2c(NC3CC=CC3)cc(C)nc12
InChIInChI=1S/C16H18N2O/c1-11-10-14(18-12-6-3-4-7-12)13-8-5-9-15(19-2)16(13)17-11/h3-5,8-10,12H,6-7H2,1-2H3,(H,17,18)
InChIKeyOFBJFGIFNCHFCA-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.68
Rot. Bonds3

About N-cyclopent-3-en-1-yl-8-methoxy-2-methylquinolin-4-amine

N-cyclopent-3-en-1-yl-8-methoxy-2-methylquinolin-4-amine (PubChem CID 133369212) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-cyclopent-3-en-1-yl-8-methoxy-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-cyclopent-3-en-1-yl-8-methoxy-2-methylquinolin-4-amine
PubChem CID133369212
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-cyclopent-3-en-1-yl-8-methoxy-2-methylquinolin-4-amine
SMILESCOc1cccc2c(NC3CC=CC3)cc(C)nc12
InChIInChI=1S/C16H18N2O/c1-11-10-14(18-12-6-3-4-7-12)13-8-5-9-15(19-2)16(13)17-11/h3-5,8-10,12H,6-7H2,1-2H3,(H,17,18)
InChIKeyOFBJFGIFNCHFCA-UHFFFAOYSA-N
XLogP3.68
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.68
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

8-methoxy-2-methyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]quinolin-4-amine
CID 133388731
cyclopentyl-[3-[(8-methoxy-2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone
CID 133369295
N-(3-chlorophenyl)-8-methoxy-2-methylquinolin-4-amine
CID 23880571
8-methoxy-2-methyl-N-(3-methylphenyl)quinolin-4-amine
CID 110435559
2-[(8-methoxy-2-methylquinolin-4-yl)amino]phenol
CID 939061
N-(3,4-dimethylphenyl)-8-methoxy-2-methylquinolin-4-amine;hydrochloride
CID 18590560
N-but-3-en-2-yl-8-methoxy-2-methylquinolin-4-amine
CID 133369005
N-(3,5-dimethoxyphenyl)-N'-(8-methoxy-2-methylquinolin-4-yl)ethane-1,2-diamine
CID 167828097
N-(2-ethoxyphenyl)-8-methoxy-2-methylquinolin-4-amine
CID 798265
8-methoxy-N-[2-(4-methoxyphenyl)ethyl]-2-methylquinolin-4-amine
CID 110432820
N-(3-chloro-4-methoxyphenyl)-8-methoxy-2-methylquinolin-4-amine
CID 798258
8-methoxy-N-(4-methoxy-2,2-dimethylbutyl)-2-methylquinolin-4-amine
CID 133459634

Frequently Asked Questions

What is the IUPAC name of N-cyclopent-3-en-1-yl-8-methoxy-2-methylquinolin-4-amine?
The IUPAC name of N-cyclopent-3-en-1-yl-8-methoxy-2-methylquinolin-4-amine (CID 133369212) is N-cyclopent-3-en-1-yl-8-methoxy-2-methylquinolin-4-amine.
What is the SMILES notation for N-cyclopent-3-en-1-yl-8-methoxy-2-methylquinolin-4-amine?
The canonical SMILES for N-cyclopent-3-en-1-yl-8-methoxy-2-methylquinolin-4-amine is COc1cccc2c(NC3CC=CC3)cc(C)nc12.
What is the InChIKey of N-cyclopent-3-en-1-yl-8-methoxy-2-methylquinolin-4-amine?
The InChIKey is OFBJFGIFNCHFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-10-14(18-12-6-3-4-7-12)13-8-5-9-15(19-2)16(13)17-11/h3-5,8-10,12H,6-7H2,1-2H3,(H,17,18).
What are the key properties of N-cyclopent-3-en-1-yl-8-methoxy-2-methylquinolin-4-amine?
N-cyclopent-3-en-1-yl-8-methoxy-2-methylquinolin-4-amine has a molecular weight of 254.33 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopent-3-en-1-yl-8-methoxy-2-methylquinolin-4-amine is sourced from PubChem (CID 133369212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).