(5R)-1',6'-dimethyl-1-naphthalen-1-ylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione

C24H21N3O3 — CID 1392297

IUPAC(5R)-1',6'-dimethyl-1-naphthalen-1-ylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
SMILESCc1ccc2c(c1)C[C@@]1(CN2C)C(=O)NC(=O)N(c2cccc3ccccc23)C1=O
InChIInChI=1S/C24H21N3O3/c1-15-10-11-19-17(12-15)13-24(14-26(19)2)21(28)25-23(30)27(22(24)29)20-9-5-7-16-6-3-4-8-18(16)20/h3-12H,13-14H2,1-2H3,(H,25,28,30)/t24-/m1/s1
InChIKeySDKITPVRUVCUKQ-XMMPIXPASA-N
MW399.45 g/mol
LogP3.41
Rot. Bonds1

About (5R)-1',6'-dimethyl-1-naphthalen-1-ylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione

(5R)-1',6'-dimethyl-1-naphthalen-1-ylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione (PubChem CID 1392297) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is (5R)-1',6'-dimethyl-1-naphthalen-1-ylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione.

Molecular Properties

Compound Name(5R)-1',6'-dimethyl-1-naphthalen-1-ylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
PubChem CID1392297
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name(5R)-1',6'-dimethyl-1-naphthalen-1-ylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
SMILESCc1ccc2c(c1)C[C@@]1(CN2C)C(=O)NC(=O)N(c2cccc3ccccc23)C1=O
InChIInChI=1S/C24H21N3O3/c1-15-10-11-19-17(12-15)13-24(14-26(19)2)21(28)25-23(30)27(22(24)29)20-9-5-7-16-6-3-4-8-18(16)20/h3-12H,13-14H2,1-2H3,(H,25,28,30)/t24-/m1/s1
InChIKeySDKITPVRUVCUKQ-XMMPIXPASA-N
XLogP3.41
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.41
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 (5R)-1',6'-dimethyl-1-naphthalen-1-ylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione?
The IUPAC name of (5R)-1',6'-dimethyl-1-naphthalen-1-ylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione (CID 1392297) is (5R)-1',6'-dimethyl-1-naphthalen-1-ylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione.
What is the SMILES notation for (5R)-1',6'-dimethyl-1-naphthalen-1-ylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione?
The canonical SMILES for (5R)-1',6'-dimethyl-1-naphthalen-1-ylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione is Cc1ccc2c(c1)C[C@@]1(CN2C)C(=O)NC(=O)N(c2cccc3ccccc23)C1=O.
What is the InChIKey of (5R)-1',6'-dimethyl-1-naphthalen-1-ylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione?
The InChIKey is SDKITPVRUVCUKQ-XMMPIXPASA-N. The full InChI is InChI=1S/C24H21N3O3/c1-15-10-11-19-17(12-15)13-24(14-26(19)2)21(28)25-23(30)27(22(24)29)20-9-5-7-16-6-3-4-8-18(16)20/h3-12H,13-14H2,1-2H3,(H,25,28,30)/t24-/m1/s1.
What are the key properties of (5R)-1',6'-dimethyl-1-naphthalen-1-ylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione?
(5R)-1',6'-dimethyl-1-naphthalen-1-ylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione has a molecular weight of 399.45 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1',6'-dimethyl-1-naphthalen-1-ylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione is sourced from PubChem (CID 1392297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).