(4S)-2-amino-1'-methyl-2',5-dioxo-1-pyridin-3-ylspiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile

C23H19N5O2 — CID 7230308

About (4S)-2-amino-1'-methyl-2',5-dioxo-1-pyridin-3-ylspiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile

(4S)-2-amino-1'-methyl-2',5-dioxo-1-pyridin-3-ylspiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile (PubChem CID 7230308) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is (4S)-2-amino-1'-methyl-2',5-dioxo-1-pyridin-3-ylspiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile.

Molecular Properties

• Compound Name: (4S)-2-amino-1'-methyl-2',5-dioxo-1-pyridin-3-ylspiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile
• PubChem CID: 7230308
• Molecular Formula: C23H19N5O2
• Molecular Weight: 397.44 g/mol
• Exact Mass: 397.15
• IUPAC Name: (4S)-2-amino-1'-methyl-2',5-dioxo-1-pyridin-3-ylspiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile
• SMILES: CN1C(=O)[C@]2(C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)CCC3)c2ccccc21
• InChI: InChI=1S/C23H19N5O2/c1-27-17-8-3-2-7-15(17)23(22(27)30)16(12-24)21(25)28(14-6-5-11-26-13-14)18-9-4-10-19(29)20(18)23/h2-3,5-8,11,13H,4,9-10,25H2,1H3/t23-/m0/s1
• InChIKey: OCNSTZBRVJWTMA-QHCPKHFHSA-N
• XLogP: 2.52
• TPSA: 103.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 1
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.44
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4S)-2-amino-1'-methyl-2',5-dioxo-1-pyridin-3-ylspiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile?

The IUPAC name of (4S)-2-amino-1'-methyl-2',5-dioxo-1-pyridin-3-ylspiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile (CID 7230308) is (4S)-2-amino-1'-methyl-2',5-dioxo-1-pyridin-3-ylspiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile.

What is the SMILES notation for (4S)-2-amino-1'-methyl-2',5-dioxo-1-pyridin-3-ylspiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile?

The canonical SMILES for (4S)-2-amino-1'-methyl-2',5-dioxo-1-pyridin-3-ylspiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile is CN1C(=O)[C@]2(C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)CCC3)c2ccccc21.

What is the InChIKey of (4S)-2-amino-1'-methyl-2',5-dioxo-1-pyridin-3-ylspiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile?

The InChIKey is OCNSTZBRVJWTMA-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-27-17-8-3-2-7-15(17)23(22(27)30)16(12-24)21(25)28(14-6-5-11-26-13-14)18-9-4-10-19(29)20(18)23/h2-3,5-8,11,13H,4,9-10,25H2,1H3/t23-/m0/s1.

What are the key properties of (4S)-2-amino-1'-methyl-2',5-dioxo-1-pyridin-3-ylspiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile?

(4S)-2-amino-1'-methyl-2',5-dioxo-1-pyridin-3-ylspiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile has a molecular weight of 397.44 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-2-amino-1'-methyl-2',5-dioxo-1-pyridin-3-ylspiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile is sourced from PubChem (CID 7230308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).