(3S)-1-[6-methyl-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol

C22H29N5O — CID 95861413

About (3S)-1-[6-methyl-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol

(3S)-1-[6-methyl-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol (PubChem CID 95861413) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is (3S)-1-[6-methyl-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol.

Molecular Properties

• Compound Name: (3S)-1-[6-methyl-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol
• PubChem CID: 95861413
• Molecular Formula: C22H29N5O
• Molecular Weight: 379.51 g/mol
• Exact Mass: 379.24
• IUPAC Name: (3S)-1-[6-methyl-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol
• SMILES: Cc1ccc2nc(N3CCC[C@H](O)C3)c(CN(C)Cc3ncc(C)[nH]3)cc2c1
• InChI: InChI=1S/C22H29N5O/c1-15-6-7-20-17(9-15)10-18(12-26(3)14-21-23-11-16(2)24-21)22(25-20)27-8-4-5-19(28)13-27/h6-7,9-11,19,28H,4-5,8,12-14H2,1-3H3,(H,23,24)/t19-/m0/s1
• InChIKey: QTEANKYIXQQDGS-IBGZPJMESA-N
• XLogP: 3.17
• TPSA: 68.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.51
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[6-methyl-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol?

The IUPAC name of (3S)-1-[6-methyl-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol (CID 95861413) is (3S)-1-[6-methyl-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol.

What is the SMILES notation for (3S)-1-[6-methyl-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol?

The canonical SMILES for (3S)-1-[6-methyl-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol is Cc1ccc2nc(N3CCC[C@H](O)C3)c(CN(C)Cc3ncc(C)[nH]3)cc2c1.

What is the InChIKey of (3S)-1-[6-methyl-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol?

The InChIKey is QTEANKYIXQQDGS-IBGZPJMESA-N. The full InChI is InChI=1S/C22H29N5O/c1-15-6-7-20-17(9-15)10-18(12-26(3)14-21-23-11-16(2)24-21)22(25-20)27-8-4-5-19(28)13-27/h6-7,9-11,19,28H,4-5,8,12-14H2,1-3H3,(H,23,24)/t19-/m0/s1.

What are the key properties of (3S)-1-[6-methyl-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol?

(3S)-1-[6-methyl-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol has a molecular weight of 379.51 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-[6-methyl-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol is sourced from PubChem (CID 95861413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).