3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-(2-morpholin-4-ylethyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one

C26H39N7O2 — CID 51625369

About 3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-(2-morpholin-4-ylethyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one

3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-(2-morpholin-4-ylethyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one (PubChem CID 51625369) has the molecular formula C26H39N7O2 and a molecular weight of 481.65 g/mol. Its IUPAC name is 3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-(2-morpholin-4-ylethyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-(2-morpholin-4-ylethyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
• PubChem CID: 51625369
• Molecular Formula: C26H39N7O2
• Molecular Weight: 481.65 g/mol
• Exact Mass: 481.32
• IUPAC Name: 3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-(2-morpholin-4-ylethyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
• SMILES: CC[C@H](c1nnnn1C(C)(C)C)N(CCN1CCOCC1)Cc1cc2cc(C)cc(C)c2[nH]c1=O
• InChI: InChI=1S/C26H39N7O2/c1-7-22(24-28-29-30-33(24)26(4,5)6)32(9-8-31-10-12-35-13-11-31)17-21-16-20-15-18(2)14-19(3)23(20)27-25(21)34/h14-16,22H,7-13,17H2,1-6H3,(H,27,34)/t22-/m1/s1
• InChIKey: QKGNPYONOANFMT-JOCHJYFZSA-N
• XLogP: 3.17
• TPSA: 92.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.65
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-(2-morpholin-4-ylethyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one?

The IUPAC name of 3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-(2-morpholin-4-ylethyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one (CID 51625369) is 3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-(2-morpholin-4-ylethyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one.

What is the SMILES notation for 3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-(2-morpholin-4-ylethyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one?

The canonical SMILES for 3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-(2-morpholin-4-ylethyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one is CC[C@H](c1nnnn1C(C)(C)C)N(CCN1CCOCC1)Cc1cc2cc(C)cc(C)c2[nH]c1=O.

What is the InChIKey of 3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-(2-morpholin-4-ylethyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one?

The InChIKey is QKGNPYONOANFMT-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H39N7O2/c1-7-22(24-28-29-30-33(24)26(4,5)6)32(9-8-31-10-12-35-13-11-31)17-21-16-20-15-18(2)14-19(3)23(20)27-25(21)34/h14-16,22H,7-13,17H2,1-6H3,(H,27,34)/t22-/m1/s1.

What are the key properties of 3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-(2-morpholin-4-ylethyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one?

3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-(2-morpholin-4-ylethyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one has a molecular weight of 481.65 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-(2-morpholin-4-ylethyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 51625369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).