2-[(5S)-3-(cyclopropylmethyl)-2-oxo-1,3-oxazolidin-5-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile

C18H15N5O2 — CID 176873075

About 2-[(5S)-3-(cyclopropylmethyl)-2-oxo-1,3-oxazolidin-5-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile

2-[(5S)-3-(cyclopropylmethyl)-2-oxo-1,3-oxazolidin-5-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile (PubChem CID 176873075) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-[(5S)-3-(cyclopropylmethyl)-2-oxo-1,3-oxazolidin-5-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile.

Molecular Properties

• Compound Name: 2-[(5S)-3-(cyclopropylmethyl)-2-oxo-1,3-oxazolidin-5-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
• PubChem CID: 176873075
• Molecular Formula: C18H15N5O2
• Molecular Weight: 333.35 g/mol
• Exact Mass: 333.12
• IUPAC Name: 2-[(5S)-3-(cyclopropylmethyl)-2-oxo-1,3-oxazolidin-5-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
• SMILES: N#Cc1ccc2ncc3[nH]c([C@@H]4CN(CC5CC5)C(=O)O4)nc3c2c1
• InChI: InChI=1S/C18H15N5O2/c19-6-11-3-4-13-12(5-11)16-14(7-20-13)21-17(22-16)15-9-23(18(24)25-15)8-10-1-2-10/h3-5,7,10,15H,1-2,8-9H2,(H,21,22)/t15-/m0/s1
• InChIKey: KGIGRDWTTYYICB-HNNXBMFYSA-N
• XLogP: 2.89
• TPSA: 94.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.35
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-3-(cyclopropylmethyl)-2-oxo-1,3-oxazolidin-5-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile?

The IUPAC name of 2-[(5S)-3-(cyclopropylmethyl)-2-oxo-1,3-oxazolidin-5-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile (CID 176873075) is 2-[(5S)-3-(cyclopropylmethyl)-2-oxo-1,3-oxazolidin-5-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile.

What is the SMILES notation for 2-[(5S)-3-(cyclopropylmethyl)-2-oxo-1,3-oxazolidin-5-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile?

The canonical SMILES for 2-[(5S)-3-(cyclopropylmethyl)-2-oxo-1,3-oxazolidin-5-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile is N#Cc1ccc2ncc3[nH]c([C@@H]4CN(CC5CC5)C(=O)O4)nc3c2c1.

What is the InChIKey of 2-[(5S)-3-(cyclopropylmethyl)-2-oxo-1,3-oxazolidin-5-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile?

The InChIKey is KGIGRDWTTYYICB-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H15N5O2/c19-6-11-3-4-13-12(5-11)16-14(7-20-13)21-17(22-16)15-9-23(18(24)25-15)8-10-1-2-10/h3-5,7,10,15H,1-2,8-9H2,(H,21,22)/t15-/m0/s1.

What are the key properties of 2-[(5S)-3-(cyclopropylmethyl)-2-oxo-1,3-oxazolidin-5-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile?

2-[(5S)-3-(cyclopropylmethyl)-2-oxo-1,3-oxazolidin-5-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile has a molecular weight of 333.35 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5S)-3-(cyclopropylmethyl)-2-oxo-1,3-oxazolidin-5-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile is sourced from PubChem (CID 176873075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).