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

C20H21N5O2 — CID 7335819

IUPAC(4S)-2-amino-1-(dimethylamino)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile
SMILESCN1C(=O)[C@]2(C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)c2ccccc21
InChIInChI=1S/C20H21N5O2/c1-23(2)25-15-9-6-10-16(26)17(15)20(13(11-21)18(25)22)12-7-4-5-8-14(12)24(3)19(20)27/h4-5,7-8H,6,9-10,22H2,1-3H3/t20-/m0/s1
InChIKeyFOFMLEVAPNKAKV-FQEVSTJZSA-N
MW363.42 g/mol
LogP1.39
Rot. Bonds1

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

(4S)-2-amino-1-(dimethylamino)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile (PubChem CID 7335819) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is (4S)-2-amino-1-(dimethylamino)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile.

Molecular Properties

Compound Name(4S)-2-amino-1-(dimethylamino)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile
PubChem CID7335819
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name(4S)-2-amino-1-(dimethylamino)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile
SMILESCN1C(=O)[C@]2(C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)c2ccccc21
InChIInChI=1S/C20H21N5O2/c1-23(2)25-15-9-6-10-16(26)17(15)20(13(11-21)18(25)22)12-7-4-5-8-14(12)24(3)19(20)27/h4-5,7-8H,6,9-10,22H2,1-3H3/t20-/m0/s1
InChIKeyFOFMLEVAPNKAKV-FQEVSTJZSA-N
XLogP1.39
TPSA93.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-amino-1-(dimethylamino)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile?
The IUPAC name of (4S)-2-amino-1-(dimethylamino)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile (CID 7335819) is (4S)-2-amino-1-(dimethylamino)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile.
What is the SMILES notation for (4S)-2-amino-1-(dimethylamino)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile?
The canonical SMILES for (4S)-2-amino-1-(dimethylamino)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile is CN1C(=O)[C@]2(C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)c2ccccc21.
What is the InChIKey of (4S)-2-amino-1-(dimethylamino)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile?
The InChIKey is FOFMLEVAPNKAKV-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-23(2)25-15-9-6-10-16(26)17(15)20(13(11-21)18(25)22)12-7-4-5-8-14(12)24(3)19(20)27/h4-5,7-8H,6,9-10,22H2,1-3H3/t20-/m0/s1.
What are the key properties of (4S)-2-amino-1-(dimethylamino)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile?
(4S)-2-amino-1-(dimethylamino)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile has a molecular weight of 363.42 g/mol, XLogP of 1.39, 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-(dimethylamino)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile is sourced from PubChem (CID 7335819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).