N-[2-[1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]quinolin-6-yl]acetamide

C19H20N4O2 — CID 70713785

IUPACN-[2-[1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]quinolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(-c3nccn3C[C@@H]3CCCO3)ccc2c1
InChIInChI=1S/C19H20N4O2/c1-13(24)21-15-5-7-17-14(11-15)4-6-18(22-17)19-20-8-9-23(19)12-16-3-2-10-25-16/h4-9,11,16H,2-3,10,12H2,1H3,(H,21,24)/t16-/m0/s1
InChIKeyLHOIKFYUAMQMOV-INIZCTEOSA-N
MW336.40 g/mol
LogP3.24
Rot. Bonds4

About N-[2-[1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]quinolin-6-yl]acetamide

N-[2-[1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]quinolin-6-yl]acetamide (PubChem CID 70713785) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[2-[1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]quinolin-6-yl]acetamide.

Molecular Properties

Compound NameN-[2-[1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]quinolin-6-yl]acetamide
PubChem CID70713785
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[2-[1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]quinolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(-c3nccn3C[C@@H]3CCCO3)ccc2c1
InChIInChI=1S/C19H20N4O2/c1-13(24)21-15-5-7-17-14(11-15)4-6-18(22-17)19-20-8-9-23(19)12-16-3-2-10-25-16/h4-9,11,16H,2-3,10,12H2,1H3,(H,21,24)/t16-/m0/s1
InChIKeyLHOIKFYUAMQMOV-INIZCTEOSA-N
XLogP3.24
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]quinolin-6-yl]acetamide?
The IUPAC name of N-[2-[1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]quinolin-6-yl]acetamide (CID 70713785) is N-[2-[1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]quinolin-6-yl]acetamide.
What is the SMILES notation for N-[2-[1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]quinolin-6-yl]acetamide?
The canonical SMILES for N-[2-[1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]quinolin-6-yl]acetamide is CC(=O)Nc1ccc2nc(-c3nccn3C[C@@H]3CCCO3)ccc2c1.
What is the InChIKey of N-[2-[1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]quinolin-6-yl]acetamide?
The InChIKey is LHOIKFYUAMQMOV-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13(24)21-15-5-7-17-14(11-15)4-6-18(22-17)19-20-8-9-23(19)12-16-3-2-10-25-16/h4-9,11,16H,2-3,10,12H2,1H3,(H,21,24)/t16-/m0/s1.
What are the key properties of N-[2-[1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]quinolin-6-yl]acetamide?
N-[2-[1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]quinolin-6-yl]acetamide has a molecular weight of 336.40 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]quinolin-6-yl]acetamide is sourced from PubChem (CID 70713785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).