3-[(R)-(4-cyclohexylpiperazin-1-yl)-(1-cyclopentyltetrazol-5-yl)methyl]-8-methyl-1H-quinolin-2-one

C27H37N7O — CID 1158355

About 3-[(R)-(4-cyclohexylpiperazin-1-yl)-(1-cyclopentyltetrazol-5-yl)methyl]-8-methyl-1H-quinolin-2-one

3-[(R)-(4-cyclohexylpiperazin-1-yl)-(1-cyclopentyltetrazol-5-yl)methyl]-8-methyl-1H-quinolin-2-one (PubChem CID 1158355) has the molecular formula C27H37N7O and a molecular weight of 475.64 g/mol. Its IUPAC name is 3-[(R)-(4-cyclohexylpiperazin-1-yl)-(1-cyclopentyltetrazol-5-yl)methyl]-8-methyl-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 3-[(R)-(4-cyclohexylpiperazin-1-yl)-(1-cyclopentyltetrazol-5-yl)methyl]-8-methyl-1H-quinolin-2-one
• PubChem CID: 1158355
• Molecular Formula: C27H37N7O
• Molecular Weight: 475.64 g/mol
• Exact Mass: 475.31
• IUPAC Name: 3-[(R)-(4-cyclohexylpiperazin-1-yl)-(1-cyclopentyltetrazol-5-yl)methyl]-8-methyl-1H-quinolin-2-one
• SMILES: Cc1cccc2cc([C@H](c3nnnn3C3CCCC3)N3CCN(C4CCCCC4)CC3)c(=O)[nH]c12
• InChI: InChI=1S/C27H37N7O/c1-19-8-7-9-20-18-23(27(35)28-24(19)20)25(26-29-30-31-34(26)22-12-5-6-13-22)33-16-14-32(15-17-33)21-10-3-2-4-11-21/h7-9,18,21-22,25H,2-6,10-17H2,1H3,(H,28,35)/t25-/m1/s1
• InChIKey: QHNYPVVNRNZBOT-RUZDIDTESA-N
• XLogP: 3.98
• TPSA: 82.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.64
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-(4-cyclohexylpiperazin-1-yl)-(1-cyclopentyltetrazol-5-yl)methyl]-8-methyl-1H-quinolin-2-one?

The IUPAC name of 3-[(R)-(4-cyclohexylpiperazin-1-yl)-(1-cyclopentyltetrazol-5-yl)methyl]-8-methyl-1H-quinolin-2-one (CID 1158355) is 3-[(R)-(4-cyclohexylpiperazin-1-yl)-(1-cyclopentyltetrazol-5-yl)methyl]-8-methyl-1H-quinolin-2-one.

What is the SMILES notation for 3-[(R)-(4-cyclohexylpiperazin-1-yl)-(1-cyclopentyltetrazol-5-yl)methyl]-8-methyl-1H-quinolin-2-one?

The canonical SMILES for 3-[(R)-(4-cyclohexylpiperazin-1-yl)-(1-cyclopentyltetrazol-5-yl)methyl]-8-methyl-1H-quinolin-2-one is Cc1cccc2cc([C@H](c3nnnn3C3CCCC3)N3CCN(C4CCCCC4)CC3)c(=O)[nH]c12.

What is the InChIKey of 3-[(R)-(4-cyclohexylpiperazin-1-yl)-(1-cyclopentyltetrazol-5-yl)methyl]-8-methyl-1H-quinolin-2-one?

The InChIKey is QHNYPVVNRNZBOT-RUZDIDTESA-N. The full InChI is InChI=1S/C27H37N7O/c1-19-8-7-9-20-18-23(27(35)28-24(19)20)25(26-29-30-31-34(26)22-12-5-6-13-22)33-16-14-32(15-17-33)21-10-3-2-4-11-21/h7-9,18,21-22,25H,2-6,10-17H2,1H3,(H,28,35)/t25-/m1/s1.

What are the key properties of 3-[(R)-(4-cyclohexylpiperazin-1-yl)-(1-cyclopentyltetrazol-5-yl)methyl]-8-methyl-1H-quinolin-2-one?

3-[(R)-(4-cyclohexylpiperazin-1-yl)-(1-cyclopentyltetrazol-5-yl)methyl]-8-methyl-1H-quinolin-2-one has a molecular weight of 475.64 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(R)-(4-cyclohexylpiperazin-1-yl)-(1-cyclopentyltetrazol-5-yl)methyl]-8-methyl-1H-quinolin-2-one is sourced from PubChem (CID 1158355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).