(3R)-2'-amino-7',7'-dimethyl-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile

C25H22N4O2 — CID 7426343

IUPAC(3R)-2'-amino-7',7'-dimethyl-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile
SMILESCC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(N)=C(C#N)[C@@]21C(=O)Nc2ccccc21
InChIInChI=1S/C25H22N4O2/c1-24(2)12-19-21(20(30)13-24)25(16-10-6-7-11-18(16)28-23(25)31)17(14-26)22(27)29(19)15-8-4-3-5-9-15/h3-11H,12-13,27H2,1-2H3,(H,28,31)/t25-/m1/s1
InChIKeyCJXLTNAFSIGWME-RUZDIDTESA-N
MW410.48 g/mol
LogP3.73
Rot. Bonds1

About (3R)-2'-amino-7',7'-dimethyl-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile

(3R)-2'-amino-7',7'-dimethyl-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile (PubChem CID 7426343) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is (3R)-2'-amino-7',7'-dimethyl-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile.

Molecular Properties

Compound Name(3R)-2'-amino-7',7'-dimethyl-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile
PubChem CID7426343
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name(3R)-2'-amino-7',7'-dimethyl-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile
SMILESCC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(N)=C(C#N)[C@@]21C(=O)Nc2ccccc21
InChIInChI=1S/C25H22N4O2/c1-24(2)12-19-21(20(30)13-24)25(16-10-6-7-11-18(16)28-23(25)31)17(14-26)22(27)29(19)15-8-4-3-5-9-15/h3-11H,12-13,27H2,1-2H3,(H,28,31)/t25-/m1/s1
InChIKeyCJXLTNAFSIGWME-RUZDIDTESA-N
XLogP3.73
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-2'-amino-7',7'-dimethyl-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile?
The IUPAC name of (3R)-2'-amino-7',7'-dimethyl-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile (CID 7426343) is (3R)-2'-amino-7',7'-dimethyl-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile.
What is the SMILES notation for (3R)-2'-amino-7',7'-dimethyl-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile?
The canonical SMILES for (3R)-2'-amino-7',7'-dimethyl-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile is CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(N)=C(C#N)[C@@]21C(=O)Nc2ccccc21.
What is the InChIKey of (3R)-2'-amino-7',7'-dimethyl-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile?
The InChIKey is CJXLTNAFSIGWME-RUZDIDTESA-N. The full InChI is InChI=1S/C25H22N4O2/c1-24(2)12-19-21(20(30)13-24)25(16-10-6-7-11-18(16)28-23(25)31)17(14-26)22(27)29(19)15-8-4-3-5-9-15/h3-11H,12-13,27H2,1-2H3,(H,28,31)/t25-/m1/s1.
What are the key properties of (3R)-2'-amino-7',7'-dimethyl-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile?
(3R)-2'-amino-7',7'-dimethyl-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile has a molecular weight of 410.48 g/mol, XLogP of 3.73, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2'-amino-7',7'-dimethyl-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile is sourced from PubChem (CID 7426343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).