(4R)-2-amino-1-(dimethylamino)-1',7,7-trimethyl-2',5-dioxospiro[6,8-dihydroquinoline-4,3'-indole]-3-carbonitrile

C22H25N5O2 — CID 7343138

IUPAC(4R)-2-amino-1-(dimethylamino)-1',7,7-trimethyl-2',5-dioxospiro[6,8-dihydroquinoline-4,3'-indole]-3-carbonitrile
SMILESCN1C(=O)[C@@]2(C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)c2ccccc21
InChIInChI=1S/C22H25N5O2/c1-21(2)10-16-18(17(28)11-21)22(14(12-23)19(24)27(16)25(3)4)13-8-6-7-9-15(13)26(5)20(22)29/h6-9H,10-11,24H2,1-5H3/t22-/m1/s1
InChIKeyNLPDXMIKJVGTKQ-JOCHJYFZSA-N
MW391.48 g/mol
LogP2.03
Rot. Bonds1

About (4R)-2-amino-1-(dimethylamino)-1',7,7-trimethyl-2',5-dioxospiro[6,8-dihydroquinoline-4,3'-indole]-3-carbonitrile

(4R)-2-amino-1-(dimethylamino)-1',7,7-trimethyl-2',5-dioxospiro[6,8-dihydroquinoline-4,3'-indole]-3-carbonitrile (PubChem CID 7343138) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is (4R)-2-amino-1-(dimethylamino)-1',7,7-trimethyl-2',5-dioxospiro[6,8-dihydroquinoline-4,3'-indole]-3-carbonitrile.

Molecular Properties

Compound Name(4R)-2-amino-1-(dimethylamino)-1',7,7-trimethyl-2',5-dioxospiro[6,8-dihydroquinoline-4,3'-indole]-3-carbonitrile
PubChem CID7343138
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name(4R)-2-amino-1-(dimethylamino)-1',7,7-trimethyl-2',5-dioxospiro[6,8-dihydroquinoline-4,3'-indole]-3-carbonitrile
SMILESCN1C(=O)[C@@]2(C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)c2ccccc21
InChIInChI=1S/C22H25N5O2/c1-21(2)10-16-18(17(28)11-21)22(14(12-23)19(24)27(16)25(3)4)13-8-6-7-9-15(13)26(5)20(22)29/h6-9H,10-11,24H2,1-5H3/t22-/m1/s1
InChIKeyNLPDXMIKJVGTKQ-JOCHJYFZSA-N
XLogP2.03
TPSA93.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-1-(dimethylamino)-1',7,7-trimethyl-2',5-dioxospiro[6,8-dihydroquinoline-4,3'-indole]-3-carbonitrile?
The IUPAC name of (4R)-2-amino-1-(dimethylamino)-1',7,7-trimethyl-2',5-dioxospiro[6,8-dihydroquinoline-4,3'-indole]-3-carbonitrile (CID 7343138) is (4R)-2-amino-1-(dimethylamino)-1',7,7-trimethyl-2',5-dioxospiro[6,8-dihydroquinoline-4,3'-indole]-3-carbonitrile.
What is the SMILES notation for (4R)-2-amino-1-(dimethylamino)-1',7,7-trimethyl-2',5-dioxospiro[6,8-dihydroquinoline-4,3'-indole]-3-carbonitrile?
The canonical SMILES for (4R)-2-amino-1-(dimethylamino)-1',7,7-trimethyl-2',5-dioxospiro[6,8-dihydroquinoline-4,3'-indole]-3-carbonitrile is CN1C(=O)[C@@]2(C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)c2ccccc21.
What is the InChIKey of (4R)-2-amino-1-(dimethylamino)-1',7,7-trimethyl-2',5-dioxospiro[6,8-dihydroquinoline-4,3'-indole]-3-carbonitrile?
The InChIKey is NLPDXMIKJVGTKQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-21(2)10-16-18(17(28)11-21)22(14(12-23)19(24)27(16)25(3)4)13-8-6-7-9-15(13)26(5)20(22)29/h6-9H,10-11,24H2,1-5H3/t22-/m1/s1.
What are the key properties of (4R)-2-amino-1-(dimethylamino)-1',7,7-trimethyl-2',5-dioxospiro[6,8-dihydroquinoline-4,3'-indole]-3-carbonitrile?
(4R)-2-amino-1-(dimethylamino)-1',7,7-trimethyl-2',5-dioxospiro[6,8-dihydroquinoline-4,3'-indole]-3-carbonitrile has a molecular weight of 391.48 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-1-(dimethylamino)-1',7,7-trimethyl-2',5-dioxospiro[6,8-dihydroquinoline-4,3'-indole]-3-carbonitrile is sourced from PubChem (CID 7343138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).