2-[(4R)-2-amino-3-cyano-1-(dimethylamino)-7,7-dimethyl-2',5-dioxospiro[6,8-dihydroquinoline-4,3'-indole]-1'-yl]-N-phenylacetamide

C29H30N6O3 — CID 42578803

About 2-[(4R)-2-amino-3-cyano-1-(dimethylamino)-7,7-dimethyl-2',5-dioxospiro[6,8-dihydroquinoline-4,3'-indole]-1'-yl]-N-phenylacetamide

2-[(4R)-2-amino-3-cyano-1-(dimethylamino)-7,7-dimethyl-2',5-dioxospiro[6,8-dihydroquinoline-4,3'-indole]-1'-yl]-N-phenylacetamide (PubChem CID 42578803) has the molecular formula C29H30N6O3 and a molecular weight of 510.60 g/mol. Its IUPAC name is 2-[(4R)-2-amino-3-cyano-1-(dimethylamino)-7,7-dimethyl-2',5-dioxospiro[6,8-dihydroquinoline-4,3'-indole]-1'-yl]-N-phenylacetamide.

Molecular Properties

• Compound Name: 2-[(4R)-2-amino-3-cyano-1-(dimethylamino)-7,7-dimethyl-2',5-dioxospiro[6,8-dihydroquinoline-4,3'-indole]-1'-yl]-N-phenylacetamide
• PubChem CID: 42578803
• Molecular Formula: C29H30N6O3
• Molecular Weight: 510.60 g/mol
• Exact Mass: 510.24
• IUPAC Name: 2-[(4R)-2-amino-3-cyano-1-(dimethylamino)-7,7-dimethyl-2',5-dioxospiro[6,8-dihydroquinoline-4,3'-indole]-1'-yl]-N-phenylacetamide
• SMILES: CN(C)N1C(N)=C(C#N)[C@@]2(C(=O)N(CC(=O)Nc3ccccc3)c3ccccc32)C2=C1CC(C)(C)CC2=O
• InChI: InChI=1S/C29H30N6O3/c1-28(2)14-22-25(23(36)15-28)29(20(16-30)26(31)35(22)33(3)4)19-12-8-9-13-21(19)34(27(29)38)17-24(37)32-18-10-6-5-7-11-18/h5-13H,14-15,17,31H2,1-4H3,(H,32,37)/t29-/m1/s1
• InChIKey: IDCDCOKCSFNNFG-GDLZYMKVSA-N
• XLogP: 3.04
• TPSA: 122.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.60
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2-amino-3-cyano-1-(dimethylamino)-7,7-dimethyl-2',5-dioxospiro[6,8-dihydroquinoline-4,3'-indole]-1'-yl]-N-phenylacetamide?

The IUPAC name of 2-[(4R)-2-amino-3-cyano-1-(dimethylamino)-7,7-dimethyl-2',5-dioxospiro[6,8-dihydroquinoline-4,3'-indole]-1'-yl]-N-phenylacetamide (CID 42578803) is 2-[(4R)-2-amino-3-cyano-1-(dimethylamino)-7,7-dimethyl-2',5-dioxospiro[6,8-dihydroquinoline-4,3'-indole]-1'-yl]-N-phenylacetamide.

What is the SMILES notation for 2-[(4R)-2-amino-3-cyano-1-(dimethylamino)-7,7-dimethyl-2',5-dioxospiro[6,8-dihydroquinoline-4,3'-indole]-1'-yl]-N-phenylacetamide?

The canonical SMILES for 2-[(4R)-2-amino-3-cyano-1-(dimethylamino)-7,7-dimethyl-2',5-dioxospiro[6,8-dihydroquinoline-4,3'-indole]-1'-yl]-N-phenylacetamide is CN(C)N1C(N)=C(C#N)[C@@]2(C(=O)N(CC(=O)Nc3ccccc3)c3ccccc32)C2=C1CC(C)(C)CC2=O.

What is the InChIKey of 2-[(4R)-2-amino-3-cyano-1-(dimethylamino)-7,7-dimethyl-2',5-dioxospiro[6,8-dihydroquinoline-4,3'-indole]-1'-yl]-N-phenylacetamide?

The InChIKey is IDCDCOKCSFNNFG-GDLZYMKVSA-N. The full InChI is InChI=1S/C29H30N6O3/c1-28(2)14-22-25(23(36)15-28)29(20(16-30)26(31)35(22)33(3)4)19-12-8-9-13-21(19)34(27(29)38)17-24(37)32-18-10-6-5-7-11-18/h5-13H,14-15,17,31H2,1-4H3,(H,32,37)/t29-/m1/s1.

What are the key properties of 2-[(4R)-2-amino-3-cyano-1-(dimethylamino)-7,7-dimethyl-2',5-dioxospiro[6,8-dihydroquinoline-4,3'-indole]-1'-yl]-N-phenylacetamide?

2-[(4R)-2-amino-3-cyano-1-(dimethylamino)-7,7-dimethyl-2',5-dioxospiro[6,8-dihydroquinoline-4,3'-indole]-1'-yl]-N-phenylacetamide has a molecular weight of 510.60 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4R)-2-amino-3-cyano-1-(dimethylamino)-7,7-dimethyl-2',5-dioxospiro[6,8-dihydroquinoline-4,3'-indole]-1'-yl]-N-phenylacetamide is sourced from PubChem (CID 42578803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).