N-[(6-methyl-2-prop-2-enoxyquinolin-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine

C19H24N2O2 — CID 42166246

IUPACN-[(6-methyl-2-prop-2-enoxyquinolin-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
SMILESC=CCOc1nc2ccc(C)cc2cc1CNC[C@@H]1CCCO1
InChIInChI=1S/C19H24N2O2/c1-3-8-23-19-16(12-20-13-17-5-4-9-22-17)11-15-10-14(2)6-7-18(15)21-19/h3,6-7,10-11,17,20H,1,4-5,8-9,12-13H2,2H3/t17-/m0/s1
InChIKeyMDKUWNWUEHQKRJ-KRWDZBQOSA-N
MW312.41 g/mol
LogP3.38
Rot. Bonds7

About N-[(6-methyl-2-prop-2-enoxyquinolin-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine

N-[(6-methyl-2-prop-2-enoxyquinolin-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine (PubChem CID 42166246) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[(6-methyl-2-prop-2-enoxyquinolin-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine.

Molecular Properties

Compound NameN-[(6-methyl-2-prop-2-enoxyquinolin-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
PubChem CID42166246
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[(6-methyl-2-prop-2-enoxyquinolin-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
SMILESC=CCOc1nc2ccc(C)cc2cc1CNC[C@@H]1CCCO1
InChIInChI=1S/C19H24N2O2/c1-3-8-23-19-16(12-20-13-17-5-4-9-22-17)11-15-10-14(2)6-7-18(15)21-19/h3,6-7,10-11,17,20H,1,4-5,8-9,12-13H2,2H3/t17-/m0/s1
InChIKeyMDKUWNWUEHQKRJ-KRWDZBQOSA-N
XLogP3.38
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-fluoro-5-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 62515858
2-imidazol-1-yl-N-[(6-methyl-2-prop-2-enoxyquinolin-3-yl)methyl]ethanamine
CID 126467216
N-[(5-methyl-1-benzofuran-2-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 55013130
7-methyl-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]-1H-quinolin-2-one
CID 863831
1-(oxolan-2-yl)-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]methanamine
CID 2969882
1-[(2R)-oxolan-2-yl]-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]methanamine
CID 2111519
N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 16807190
6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)quinolin-2-amine
CID 50748624
N-[(2-chloro-8-methylquinolin-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 3219489
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 17054250
N-[(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 4716124
N-[(2-methylquinolin-6-yl)methyl]-1-(oxan-2-yl)methanamine
CID 105378407

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-prop-2-enoxyquinolin-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine?
The IUPAC name of N-[(6-methyl-2-prop-2-enoxyquinolin-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine (CID 42166246) is N-[(6-methyl-2-prop-2-enoxyquinolin-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine.
What is the SMILES notation for N-[(6-methyl-2-prop-2-enoxyquinolin-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine?
The canonical SMILES for N-[(6-methyl-2-prop-2-enoxyquinolin-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine is C=CCOc1nc2ccc(C)cc2cc1CNC[C@@H]1CCCO1.
What is the InChIKey of N-[(6-methyl-2-prop-2-enoxyquinolin-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine?
The InChIKey is MDKUWNWUEHQKRJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-3-8-23-19-16(12-20-13-17-5-4-9-22-17)11-15-10-14(2)6-7-18(15)21-19/h3,6-7,10-11,17,20H,1,4-5,8-9,12-13H2,2H3/t17-/m0/s1.
What are the key properties of N-[(6-methyl-2-prop-2-enoxyquinolin-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine?
N-[(6-methyl-2-prop-2-enoxyquinolin-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine has a molecular weight of 312.41 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-prop-2-enoxyquinolin-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine is sourced from PubChem (CID 42166246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).