1',6'-dimethyl-1-propan-2-ylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione

C17H21N3O3 — CID 665969

IUPAC1',6'-dimethyl-1-propan-2-ylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
SMILESCc1ccc2c(c1)CC1(CN2C)C(=O)NC(=O)N(C(C)C)C1=O
InChIInChI=1S/C17H21N3O3/c1-10(2)20-15(22)17(14(21)18-16(20)23)8-12-7-11(3)5-6-13(12)19(4)9-17/h5-7,10H,8-9H2,1-4H3,(H,18,21,23)
InChIKeyKPWOBAHSDVOJTI-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.46
Rot. Bonds1

About 1',6'-dimethyl-1-propan-2-ylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione

1',6'-dimethyl-1-propan-2-ylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione (PubChem CID 665969) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1',6'-dimethyl-1-propan-2-ylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione.

Molecular Properties

Compound Name1',6'-dimethyl-1-propan-2-ylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
PubChem CID665969
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1',6'-dimethyl-1-propan-2-ylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
SMILESCc1ccc2c(c1)CC1(CN2C)C(=O)NC(=O)N(C(C)C)C1=O
InChIInChI=1S/C17H21N3O3/c1-10(2)20-15(22)17(14(21)18-16(20)23)8-12-7-11(3)5-6-13(12)19(4)9-17/h5-7,10H,8-9H2,1-4H3,(H,18,21,23)
InChIKeyKPWOBAHSDVOJTI-UHFFFAOYSA-N
XLogP1.46
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1',6'-dimethyl-1-propan-2-ylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione?
The IUPAC name of 1',6'-dimethyl-1-propan-2-ylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione (CID 665969) is 1',6'-dimethyl-1-propan-2-ylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione.
What is the SMILES notation for 1',6'-dimethyl-1-propan-2-ylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione?
The canonical SMILES for 1',6'-dimethyl-1-propan-2-ylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione is Cc1ccc2c(c1)CC1(CN2C)C(=O)NC(=O)N(C(C)C)C1=O.
What is the InChIKey of 1',6'-dimethyl-1-propan-2-ylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione?
The InChIKey is KPWOBAHSDVOJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-10(2)20-15(22)17(14(21)18-16(20)23)8-12-7-11(3)5-6-13(12)19(4)9-17/h5-7,10H,8-9H2,1-4H3,(H,18,21,23).
What are the key properties of 1',6'-dimethyl-1-propan-2-ylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione?
1',6'-dimethyl-1-propan-2-ylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione has a molecular weight of 315.37 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1',6'-dimethyl-1-propan-2-ylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione is sourced from PubChem (CID 665969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).