N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine

C17H23N3O — CID 78983738

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine
SMILESCc1noc(C)c1CNCc1ccc2c(c1)CCCN2C
InChIInChI=1S/C17H23N3O/c1-12-16(13(2)21-19-12)11-18-10-14-6-7-17-15(9-14)5-4-8-20(17)3/h6-7,9,18H,4-5,8,10-11H2,1-3H3
InChIKeyBAMOMNCZUSPRJY-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.96
Rot. Bonds4

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine (PubChem CID 78983738) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine
PubChem CID78983738
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine
SMILESCc1noc(C)c1CNCc1ccc2c(c1)CCCN2C
InChIInChI=1S/C17H23N3O/c1-12-16(13(2)21-19-12)11-18-10-14-6-7-17-15(9-14)5-4-8-20(17)3/h6-7,9,18H,4-5,8,10-11H2,1-3H3
InChIKeyBAMOMNCZUSPRJY-UHFFFAOYSA-N
XLogP2.96
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106392909
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
CID 102673240
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine
CID 79230833
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 62066674
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine
CID 114699033
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 62096870
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]prop-2-en-1-amine
CID 62072231
1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(3-methylphenyl)methyl]methanamine
CID 62094945
2-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]cyclohexan-1-amine
CID 25219747
N',N'-dimethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethane-1,2-diamine
CID 62072227
3-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904608
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103437907

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine (CID 78983738) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine is Cc1noc(C)c1CNCc1ccc2c(c1)CCCN2C.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine?
The InChIKey is BAMOMNCZUSPRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-16(13(2)21-19-12)11-18-10-14-6-7-17-15(9-14)5-4-8-20(17)3/h6-7,9,18H,4-5,8,10-11H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine has a molecular weight of 285.39 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine is sourced from PubChem (CID 78983738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).