N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]-1-quinolin-2-ylethanamine

C20H24N4O — CID 167805099

IUPACN-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]-1-quinolin-2-ylethanamine
SMILESCC(NC[C@@H]1CCO[C@H]1c1nccn1C)c1ccc2ccccc2n1
InChIInChI=1S/C20H24N4O/c1-14(17-8-7-15-5-3-4-6-18(15)23-17)22-13-16-9-12-25-19(16)20-21-10-11-24(20)2/h3-8,10-11,14,16,19,22H,9,12-13H2,1-2H3/t14?,16-,19+/m0/s1
InChIKeyDMVKYQOXTSDTEU-WHJCRDCLSA-N
MW336.44 g/mol
LogP3.40
Rot. Bonds5

About N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]-1-quinolin-2-ylethanamine

N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]-1-quinolin-2-ylethanamine (PubChem CID 167805099) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]-1-quinolin-2-ylethanamine.

Molecular Properties

Compound NameN-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]-1-quinolin-2-ylethanamine
PubChem CID167805099
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]-1-quinolin-2-ylethanamine
SMILESCC(NC[C@@H]1CCO[C@H]1c1nccn1C)c1ccc2ccccc2n1
InChIInChI=1S/C20H24N4O/c1-14(17-8-7-15-5-3-4-6-18(15)23-17)22-13-16-9-12-25-19(16)20-21-10-11-24(20)2/h3-8,10-11,14,16,19,22H,9,12-13H2,1-2H3/t14?,16-,19+/m0/s1
InChIKeyDMVKYQOXTSDTEU-WHJCRDCLSA-N
XLogP3.40
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethylpyrazol-4-yl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]ethanamine
CID 154761785
1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]methanamine
CID 154761426
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanamine
CID 154800917
N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanamine
CID 154761428
(2S,3S)-N-(1,3-diphenylpropan-2-yl)-2-(1-methylimidazol-2-yl)oxolan-3-amine
CID 154794407
N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine
CID 154762348
2-(4-cyanophenyl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]acetamide
CID 154794496
N-[(5-bromofuran-2-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine
CID 167805309
3-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[(1R)-1-quinolin-2-ylethyl]propan-1-amine
CID 97321769
(2S,3S)-N-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2-(1-methylimidazol-2-yl)oxolan-3-amine
CID 129475680
N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]-1,6-naphthyridin-4-amine
CID 167941440
(2S,3S)-N-(1-benzothiophen-2-ylmethyl)-2-(1-methylimidazol-2-yl)oxan-3-amine
CID 128971716

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]-1-quinolin-2-ylethanamine?
The IUPAC name of N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]-1-quinolin-2-ylethanamine (CID 167805099) is N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]-1-quinolin-2-ylethanamine.
What is the SMILES notation for N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]-1-quinolin-2-ylethanamine?
The canonical SMILES for N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]-1-quinolin-2-ylethanamine is CC(NC[C@@H]1CCO[C@H]1c1nccn1C)c1ccc2ccccc2n1.
What is the InChIKey of N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]-1-quinolin-2-ylethanamine?
The InChIKey is DMVKYQOXTSDTEU-WHJCRDCLSA-N. The full InChI is InChI=1S/C20H24N4O/c1-14(17-8-7-15-5-3-4-6-18(15)23-17)22-13-16-9-12-25-19(16)20-21-10-11-24(20)2/h3-8,10-11,14,16,19,22H,9,12-13H2,1-2H3/t14?,16-,19+/m0/s1.
What are the key properties of N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]-1-quinolin-2-ylethanamine?
N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]-1-quinolin-2-ylethanamine has a molecular weight of 336.44 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]-1-quinolin-2-ylethanamine is sourced from PubChem (CID 167805099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).