cyclopropylmethyl N-[1-[2-[(8-methoxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]ethyl]piperidin-4-yl]carbamate

C23H33N3O5 — CID 15677010

About cyclopropylmethyl N-[1-[2-[(8-methoxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]ethyl]piperidin-4-yl]carbamate

cyclopropylmethyl N-[1-[2-[(8-methoxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]ethyl]piperidin-4-yl]carbamate (PubChem CID 15677010) has the molecular formula C23H33N3O5 and a molecular weight of 431.53 g/mol. Its IUPAC name is cyclopropylmethyl N-[1-[2-[(8-methoxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]ethyl]piperidin-4-yl]carbamate.

Molecular Properties

• Compound Name: cyclopropylmethyl N-[1-[2-[(8-methoxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]ethyl]piperidin-4-yl]carbamate
• PubChem CID: 15677010
• Molecular Formula: C23H33N3O5
• Molecular Weight: 431.53 g/mol
• Exact Mass: 431.24
• IUPAC Name: cyclopropylmethyl N-[1-[2-[(8-methoxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]ethyl]piperidin-4-yl]carbamate
• SMILES: COc1cc(C)c(OCCN2CCC(NC(=O)OCC3CC3)CC2)c2c1NC(=O)CC2
• InChI: InChI=1S/C23H33N3O5/c1-15-13-19(29-2)21-18(5-6-20(27)25-21)22(15)30-12-11-26-9-7-17(8-10-26)24-23(28)31-14-16-3-4-16/h13,16-17H,3-12,14H2,1-2H3,(H,24,28)(H,25,27)
• InChIKey: OMXBJRLQSVYTRS-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 89.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.53
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl N-[1-[2-[(8-methoxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]ethyl]piperidin-4-yl]carbamate?

The IUPAC name of cyclopropylmethyl N-[1-[2-[(8-methoxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]ethyl]piperidin-4-yl]carbamate (CID 15677010) is cyclopropylmethyl N-[1-[2-[(8-methoxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]ethyl]piperidin-4-yl]carbamate.

What is the SMILES notation for cyclopropylmethyl N-[1-[2-[(8-methoxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]ethyl]piperidin-4-yl]carbamate?

The canonical SMILES for cyclopropylmethyl N-[1-[2-[(8-methoxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]ethyl]piperidin-4-yl]carbamate is COc1cc(C)c(OCCN2CCC(NC(=O)OCC3CC3)CC2)c2c1NC(=O)CC2.

What is the InChIKey of cyclopropylmethyl N-[1-[2-[(8-methoxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]ethyl]piperidin-4-yl]carbamate?

The InChIKey is OMXBJRLQSVYTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O5/c1-15-13-19(29-2)21-18(5-6-20(27)25-21)22(15)30-12-11-26-9-7-17(8-10-26)24-23(28)31-14-16-3-4-16/h13,16-17H,3-12,14H2,1-2H3,(H,24,28)(H,25,27).

What are the key properties of cyclopropylmethyl N-[1-[2-[(8-methoxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]ethyl]piperidin-4-yl]carbamate?

cyclopropylmethyl N-[1-[2-[(8-methoxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]ethyl]piperidin-4-yl]carbamate has a molecular weight of 431.53 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropylmethyl N-[1-[2-[(8-methoxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]ethyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 15677010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).