cyclobutyl N-[(2R,4S)-1-acetyl-2-methyl-6-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate;hydrochloride

C28H37ClN4O3 — CID 52933390

About cyclobutyl N-[(2R,4S)-1-acetyl-2-methyl-6-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate;hydrochloride

cyclobutyl N-[(2R,4S)-1-acetyl-2-methyl-6-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate;hydrochloride (PubChem CID 52933390) has the molecular formula C28H37ClN4O3 and a molecular weight of 513.08 g/mol. Its IUPAC name is cyclobutyl N-[(2R,4S)-1-acetyl-2-methyl-6-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate;hydrochloride.

Molecular Properties

• Compound Name: cyclobutyl N-[(2R,4S)-1-acetyl-2-methyl-6-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate;hydrochloride
• PubChem CID: 52933390
• Molecular Formula: C28H37ClN4O3
• Molecular Weight: 513.08 g/mol
• Exact Mass: 512.26
• IUPAC Name: cyclobutyl N-[(2R,4S)-1-acetyl-2-methyl-6-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate;hydrochloride
• SMILES: CC(=O)N1c2ccc(-c3ccc(CN4CCCCC4)nc3)cc2[C@@H](NC(=O)OC2CCC2)C[C@H]1C.Cl
• InChI: InChI=1S/C28H36N4O3.ClH/c1-19-15-26(30-28(34)35-24-7-6-8-24)25-16-21(10-12-27(25)32(19)20(2)33)22-9-11-23(29-17-22)18-31-13-4-3-5-14-31;/h9-12,16-17,19,24,26H,3-8,13-15,18H2,1-2H3,(H,30,34);1H/t19-,26+;/m1./s1
• InChIKey: VSXCSRIDRVCARY-ZJZJWBPXSA-N
• XLogP: 5.62
• TPSA: 74.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.08
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of cyclobutyl N-[(2R,4S)-1-acetyl-2-methyl-6-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate;hydrochloride?

The IUPAC name of cyclobutyl N-[(2R,4S)-1-acetyl-2-methyl-6-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate;hydrochloride (CID 52933390) is cyclobutyl N-[(2R,4S)-1-acetyl-2-methyl-6-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate;hydrochloride.

What is the SMILES notation for cyclobutyl N-[(2R,4S)-1-acetyl-2-methyl-6-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate;hydrochloride?

The canonical SMILES for cyclobutyl N-[(2R,4S)-1-acetyl-2-methyl-6-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate;hydrochloride is CC(=O)N1c2ccc(-c3ccc(CN4CCCCC4)nc3)cc2[C@@H](NC(=O)OC2CCC2)C[C@H]1C.Cl.

What is the InChIKey of cyclobutyl N-[(2R,4S)-1-acetyl-2-methyl-6-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate;hydrochloride?

The InChIKey is VSXCSRIDRVCARY-ZJZJWBPXSA-N. The full InChI is InChI=1S/C28H36N4O3.ClH/c1-19-15-26(30-28(34)35-24-7-6-8-24)25-16-21(10-12-27(25)32(19)20(2)33)22-9-11-23(29-17-22)18-31-13-4-3-5-14-31;/h9-12,16-17,19,24,26H,3-8,13-15,18H2,1-2H3,(H,30,34);1H/t19-,26+;/m1./s1.

What are the key properties of cyclobutyl N-[(2R,4S)-1-acetyl-2-methyl-6-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate;hydrochloride?

cyclobutyl N-[(2R,4S)-1-acetyl-2-methyl-6-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate;hydrochloride has a molecular weight of 513.08 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for cyclobutyl N-[(2R,4S)-1-acetyl-2-methyl-6-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate;hydrochloride is sourced from PubChem (CID 52933390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).