2'-amino-3',6,6-trimethyl-2-(3-methylphenyl)spiro[5,7-dihydroquinoline-8,5'-imidazole]-4'-one

C21H24N4O — CID 70170838

IUPAC2'-amino-3',6,6-trimethyl-2-(3-methylphenyl)spiro[5,7-dihydroquinoline-8,5'-imidazole]-4'-one
SMILESCc1cccc(-c2ccc3c(n2)C2(CC(C)(C)C3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C21H24N4O/c1-13-6-5-7-14(10-13)16-9-8-15-11-20(2,3)12-21(17(15)23-16)18(26)25(4)19(22)24-21/h5-10H,11-12H2,1-4H3,(H2,22,24)
InChIKeyWGYTXMRBOBCPFR-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.01
Rot. Bonds1

About 2'-amino-3',6,6-trimethyl-2-(3-methylphenyl)spiro[5,7-dihydroquinoline-8,5'-imidazole]-4'-one

2'-amino-3',6,6-trimethyl-2-(3-methylphenyl)spiro[5,7-dihydroquinoline-8,5'-imidazole]-4'-one (PubChem CID 70170838) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2'-amino-3',6,6-trimethyl-2-(3-methylphenyl)spiro[5,7-dihydroquinoline-8,5'-imidazole]-4'-one.

Molecular Properties

Compound Name2'-amino-3',6,6-trimethyl-2-(3-methylphenyl)spiro[5,7-dihydroquinoline-8,5'-imidazole]-4'-one
PubChem CID70170838
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2'-amino-3',6,6-trimethyl-2-(3-methylphenyl)spiro[5,7-dihydroquinoline-8,5'-imidazole]-4'-one
SMILESCc1cccc(-c2ccc3c(n2)C2(CC(C)(C)C3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C21H24N4O/c1-13-6-5-7-14(10-13)16-9-8-15-11-20(2,3)12-21(17(15)23-16)18(26)25(4)19(22)24-21/h5-10H,11-12H2,1-4H3,(H2,22,24)
InChIKeyWGYTXMRBOBCPFR-UHFFFAOYSA-N
XLogP3.01
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2'-amino-3',6,6-trimethyl-2-(3-methylphenyl)spiro[5,7-dihydroquinoline-8,5'-imidazole]-4'-one?
The IUPAC name of 2'-amino-3',6,6-trimethyl-2-(3-methylphenyl)spiro[5,7-dihydroquinoline-8,5'-imidazole]-4'-one (CID 70170838) is 2'-amino-3',6,6-trimethyl-2-(3-methylphenyl)spiro[5,7-dihydroquinoline-8,5'-imidazole]-4'-one.
What is the SMILES notation for 2'-amino-3',6,6-trimethyl-2-(3-methylphenyl)spiro[5,7-dihydroquinoline-8,5'-imidazole]-4'-one?
The canonical SMILES for 2'-amino-3',6,6-trimethyl-2-(3-methylphenyl)spiro[5,7-dihydroquinoline-8,5'-imidazole]-4'-one is Cc1cccc(-c2ccc3c(n2)C2(CC(C)(C)C3)N=C(N)N(C)C2=O)c1.
What is the InChIKey of 2'-amino-3',6,6-trimethyl-2-(3-methylphenyl)spiro[5,7-dihydroquinoline-8,5'-imidazole]-4'-one?
The InChIKey is WGYTXMRBOBCPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-13-6-5-7-14(10-13)16-9-8-15-11-20(2,3)12-21(17(15)23-16)18(26)25(4)19(22)24-21/h5-10H,11-12H2,1-4H3,(H2,22,24).
What are the key properties of 2'-amino-3',6,6-trimethyl-2-(3-methylphenyl)spiro[5,7-dihydroquinoline-8,5'-imidazole]-4'-one?
2'-amino-3',6,6-trimethyl-2-(3-methylphenyl)spiro[5,7-dihydroquinoline-8,5'-imidazole]-4'-one has a molecular weight of 348.45 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-amino-3',6,6-trimethyl-2-(3-methylphenyl)spiro[5,7-dihydroquinoline-8,5'-imidazole]-4'-one is sourced from PubChem (CID 70170838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).