2-imidazol-1-yl-N-[(6-methyl-2-prop-2-enoxyquinolin-3-yl)methyl]ethanamine

C19H22N4O — CID 126467216

IUPAC2-imidazol-1-yl-N-[(6-methyl-2-prop-2-enoxyquinolin-3-yl)methyl]ethanamine
SMILESC=CCOc1nc2ccc(C)cc2cc1CNCCn1ccnc1
InChIInChI=1S/C19H22N4O/c1-3-10-24-19-17(13-20-6-8-23-9-7-21-14-23)12-16-11-15(2)4-5-18(16)22-19/h3-5,7,9,11-12,14,20H,1,6,8,10,13H2,2H3
InChIKeyRVBNIWORGMRKHA-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.09
Rot. Bonds8

About 2-imidazol-1-yl-N-[(6-methyl-2-prop-2-enoxyquinolin-3-yl)methyl]ethanamine

2-imidazol-1-yl-N-[(6-methyl-2-prop-2-enoxyquinolin-3-yl)methyl]ethanamine (PubChem CID 126467216) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[(6-methyl-2-prop-2-enoxyquinolin-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[(6-methyl-2-prop-2-enoxyquinolin-3-yl)methyl]ethanamine
PubChem CID126467216
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-imidazol-1-yl-N-[(6-methyl-2-prop-2-enoxyquinolin-3-yl)methyl]ethanamine
SMILESC=CCOc1nc2ccc(C)cc2cc1CNCCn1ccnc1
InChIInChI=1S/C19H22N4O/c1-3-10-24-19-17(13-20-6-8-23-9-7-21-14-23)12-16-11-15(2)4-5-18(16)22-19/h3-5,7,9,11-12,14,20H,1,6,8,10,13H2,2H3
InChIKeyRVBNIWORGMRKHA-UHFFFAOYSA-N
XLogP3.09
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-methyl-2-prop-2-enoxyquinolin-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 42166246
N-[[2-[(2-fluorophenyl)methoxy]-7-methoxyquinolin-3-yl]methyl]-2-imidazol-1-ylethanamine
CID 42471305
1-[4-(4-methyl-2-prop-2-enylphenoxy)butyl]imidazole
CID 2923427
4-imidazol-1-yl-N-[(2-methoxy-5-methylphenyl)methyl]butan-1-amine
CID 61069061
3-imidazol-1-yl-N-[[4-(4-methylphenyl)phenyl]methyl]propan-1-amine
CID 142817924
N-[(2-ethenylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 168665221
3-[(3-imidazol-1-ylpropylamino)methyl]-6-methyl-1-[(2-methylphenyl)methyl]quinolin-2-one
CID 26357464
1-(2,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61326541
2-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 114936698
N-[(2-chloro-5-fluorophenyl)methyl]-2-imidazol-1-ylethanamine
CID 102615563
2-imidazol-1-yl-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine
CID 61463163
2-imidazol-1-yl-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine
CID 78975055

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[(6-methyl-2-prop-2-enoxyquinolin-3-yl)methyl]ethanamine?
The IUPAC name of 2-imidazol-1-yl-N-[(6-methyl-2-prop-2-enoxyquinolin-3-yl)methyl]ethanamine (CID 126467216) is 2-imidazol-1-yl-N-[(6-methyl-2-prop-2-enoxyquinolin-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-imidazol-1-yl-N-[(6-methyl-2-prop-2-enoxyquinolin-3-yl)methyl]ethanamine?
The canonical SMILES for 2-imidazol-1-yl-N-[(6-methyl-2-prop-2-enoxyquinolin-3-yl)methyl]ethanamine is C=CCOc1nc2ccc(C)cc2cc1CNCCn1ccnc1.
What is the InChIKey of 2-imidazol-1-yl-N-[(6-methyl-2-prop-2-enoxyquinolin-3-yl)methyl]ethanamine?
The InChIKey is RVBNIWORGMRKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-3-10-24-19-17(13-20-6-8-23-9-7-21-14-23)12-16-11-15(2)4-5-18(16)22-19/h3-5,7,9,11-12,14,20H,1,6,8,10,13H2,2H3.
What are the key properties of 2-imidazol-1-yl-N-[(6-methyl-2-prop-2-enoxyquinolin-3-yl)methyl]ethanamine?
2-imidazol-1-yl-N-[(6-methyl-2-prop-2-enoxyquinolin-3-yl)methyl]ethanamine has a molecular weight of 322.41 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[(6-methyl-2-prop-2-enoxyquinolin-3-yl)methyl]ethanamine is sourced from PubChem (CID 126467216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).