2'-amino-6-chloro-7-methyl-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile

C24H19ClN4O2 — CID 4919783

IUPAC2'-amino-6-chloro-7-methyl-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile
SMILESCc1c(Cl)ccc2c1NC(=O)C21C(C#N)=C(N)N(c2ccccc2)C2=C1C(=O)CCC2
InChIInChI=1S/C24H19ClN4O2/c1-13-17(25)11-10-15-21(13)28-23(31)24(15)16(12-26)22(27)29(14-6-3-2-4-7-14)18-8-5-9-19(30)20(18)24/h2-4,6-7,10-11H,5,8-9,27H2,1H3,(H,28,31)
InChIKeyDUPPECXHXKCGTH-UHFFFAOYSA-N
MW430.90 g/mol
LogP4.06
Rot. Bonds1

About 2'-amino-6-chloro-7-methyl-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile

2'-amino-6-chloro-7-methyl-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile (PubChem CID 4919783) has the molecular formula C24H19ClN4O2 and a molecular weight of 430.90 g/mol. Its IUPAC name is 2'-amino-6-chloro-7-methyl-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile.

Molecular Properties

Compound Name2'-amino-6-chloro-7-methyl-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile
PubChem CID4919783
Molecular FormulaC24H19ClN4O2
Molecular Weight430.90 g/mol
Exact Mass430.12
IUPAC Name2'-amino-6-chloro-7-methyl-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile
SMILESCc1c(Cl)ccc2c1NC(=O)C21C(C#N)=C(N)N(c2ccccc2)C2=C1C(=O)CCC2
InChIInChI=1S/C24H19ClN4O2/c1-13-17(25)11-10-15-21(13)28-23(31)24(15)16(12-26)22(27)29(14-6-3-2-4-7-14)18-8-5-9-19(30)20(18)24/h2-4,6-7,10-11H,5,8-9,27H2,1H3,(H,28,31)
InChIKeyDUPPECXHXKCGTH-UHFFFAOYSA-N
XLogP4.06
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.90
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2'-amino-6-chloro-7-methyl-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile?
The IUPAC name of 2'-amino-6-chloro-7-methyl-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile (CID 4919783) is 2'-amino-6-chloro-7-methyl-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile.
What is the SMILES notation for 2'-amino-6-chloro-7-methyl-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile?
The canonical SMILES for 2'-amino-6-chloro-7-methyl-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile is Cc1c(Cl)ccc2c1NC(=O)C21C(C#N)=C(N)N(c2ccccc2)C2=C1C(=O)CCC2.
What is the InChIKey of 2'-amino-6-chloro-7-methyl-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile?
The InChIKey is DUPPECXHXKCGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O2/c1-13-17(25)11-10-15-21(13)28-23(31)24(15)16(12-26)22(27)29(14-6-3-2-4-7-14)18-8-5-9-19(30)20(18)24/h2-4,6-7,10-11H,5,8-9,27H2,1H3,(H,28,31).
What are the key properties of 2'-amino-6-chloro-7-methyl-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile?
2'-amino-6-chloro-7-methyl-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile has a molecular weight of 430.90 g/mol, XLogP of 4.06, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-amino-6-chloro-7-methyl-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile is sourced from PubChem (CID 4919783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).