2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-4a,6-dihydro-1H-quinoline]-3'-carbonitrile

C19H18N4O2 — CID 3460786

IUPAC2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-4a,6-dihydro-1H-quinoline]-3'-carbonitrile
SMILESCC1(C)C=C2NC(N)=C(C#N)C3(C(=O)Nc4ccccc43)C2C(=O)C1
InChIInChI=1S/C19H18N4O2/c1-18(2)7-13-15(14(24)8-18)19(11(9-20)16(21)22-13)10-5-3-4-6-12(10)23-17(19)25/h3-7,15,22H,8,21H2,1-2H3,(H,23,25)
InChIKeyMVZOHDRNGKWVSH-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.67
Rot. Bonds

About 2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-4a,6-dihydro-1H-quinoline]-3'-carbonitrile

2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-4a,6-dihydro-1H-quinoline]-3'-carbonitrile (PubChem CID 3460786) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-4a,6-dihydro-1H-quinoline]-3'-carbonitrile.

Molecular Properties

Compound Name2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-4a,6-dihydro-1H-quinoline]-3'-carbonitrile
PubChem CID3460786
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-4a,6-dihydro-1H-quinoline]-3'-carbonitrile
SMILESCC1(C)C=C2NC(N)=C(C#N)C3(C(=O)Nc4ccccc43)C2C(=O)C1
InChIInChI=1S/C19H18N4O2/c1-18(2)7-13-15(14(24)8-18)19(11(9-20)16(21)22-13)10-5-3-4-6-12(10)23-17(19)25/h3-7,15,22H,8,21H2,1-2H3,(H,23,25)
InChIKeyMVZOHDRNGKWVSH-UHFFFAOYSA-N
XLogP1.67
TPSA108.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-4a,6-dihydro-1H-quinoline]-3'-carbonitrile?
The IUPAC name of 2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-4a,6-dihydro-1H-quinoline]-3'-carbonitrile (CID 3460786) is 2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-4a,6-dihydro-1H-quinoline]-3'-carbonitrile.
What is the SMILES notation for 2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-4a,6-dihydro-1H-quinoline]-3'-carbonitrile?
The canonical SMILES for 2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-4a,6-dihydro-1H-quinoline]-3'-carbonitrile is CC1(C)C=C2NC(N)=C(C#N)C3(C(=O)Nc4ccccc43)C2C(=O)C1.
What is the InChIKey of 2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-4a,6-dihydro-1H-quinoline]-3'-carbonitrile?
The InChIKey is MVZOHDRNGKWVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-18(2)7-13-15(14(24)8-18)19(11(9-20)16(21)22-13)10-5-3-4-6-12(10)23-17(19)25/h3-7,15,22H,8,21H2,1-2H3,(H,23,25).
What are the key properties of 2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-4a,6-dihydro-1H-quinoline]-3'-carbonitrile?
2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-4a,6-dihydro-1H-quinoline]-3'-carbonitrile has a molecular weight of 334.38 g/mol, XLogP of 1.67, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-4a,6-dihydro-1H-quinoline]-3'-carbonitrile is sourced from PubChem (CID 3460786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).