(2S)-1',3',3'-trimethylspiro[[1,4]oxazino[2,3-f][1,10]phenanthroline-2,2'-indole]

C24H20N4O — CID 139114696

IUPAC(2S)-1',3',3'-trimethylspiro[[1,4]oxazino[2,3-f][1,10]phenanthroline-2,2'-indole]
SMILESCN1c2ccccc2C(C)(C)[C@]12C=Nc1c(c3cccnc3c3ncccc13)O2
InChIInChI=1S/C24H20N4O/c1-23(2)17-10-4-5-11-18(17)28(3)24(23)14-27-21-15-8-6-12-25-19(15)20-16(22(21)29-24)9-7-13-26-20/h4-14H,1-3H3/t24-/m1/s1
InChIKeyAHFZQFFXWVLSFL-XMMPIXPASA-N
MW380.45 g/mol
LogP5.00
Rot. Bonds

About (2S)-1',3',3'-trimethylspiro[[1,4]oxazino[2,3-f][1,10]phenanthroline-2,2'-indole]

(2S)-1',3',3'-trimethylspiro[[1,4]oxazino[2,3-f][1,10]phenanthroline-2,2'-indole] (PubChem CID 139114696) has the molecular formula C24H20N4O and a molecular weight of 380.45 g/mol. Its IUPAC name is (2S)-1',3',3'-trimethylspiro[[1,4]oxazino[2,3-f][1,10]phenanthroline-2,2'-indole].

Molecular Properties

Compound Name(2S)-1',3',3'-trimethylspiro[[1,4]oxazino[2,3-f][1,10]phenanthroline-2,2'-indole]
PubChem CID139114696
Molecular FormulaC24H20N4O
Molecular Weight380.45 g/mol
Exact Mass380.16
IUPAC Name(2S)-1',3',3'-trimethylspiro[[1,4]oxazino[2,3-f][1,10]phenanthroline-2,2'-indole]
SMILESCN1c2ccccc2C(C)(C)[C@]12C=Nc1c(c3cccnc3c3ncccc13)O2
InChIInChI=1S/C24H20N4O/c1-23(2)17-10-4-5-11-18(17)28(3)24(23)14-27-21-15-8-6-12-25-19(15)20-16(22(21)29-24)9-7-13-26-20/h4-14H,1-3H3/t24-/m1/s1
InChIKeyAHFZQFFXWVLSFL-XMMPIXPASA-N
XLogP5.00
TPSA50.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.45
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-1',3',3'-trimethylspiro[[1,4]oxazino[2,3-f][1,10]phenanthroline-2,2'-indole]?
The IUPAC name of (2S)-1',3',3'-trimethylspiro[[1,4]oxazino[2,3-f][1,10]phenanthroline-2,2'-indole] (CID 139114696) is (2S)-1',3',3'-trimethylspiro[[1,4]oxazino[2,3-f][1,10]phenanthroline-2,2'-indole].
What is the SMILES notation for (2S)-1',3',3'-trimethylspiro[[1,4]oxazino[2,3-f][1,10]phenanthroline-2,2'-indole]?
The canonical SMILES for (2S)-1',3',3'-trimethylspiro[[1,4]oxazino[2,3-f][1,10]phenanthroline-2,2'-indole] is CN1c2ccccc2C(C)(C)[C@]12C=Nc1c(c3cccnc3c3ncccc13)O2.
What is the InChIKey of (2S)-1',3',3'-trimethylspiro[[1,4]oxazino[2,3-f][1,10]phenanthroline-2,2'-indole]?
The InChIKey is AHFZQFFXWVLSFL-XMMPIXPASA-N. The full InChI is InChI=1S/C24H20N4O/c1-23(2)17-10-4-5-11-18(17)28(3)24(23)14-27-21-15-8-6-12-25-19(15)20-16(22(21)29-24)9-7-13-26-20/h4-14H,1-3H3/t24-/m1/s1.
What are the key properties of (2S)-1',3',3'-trimethylspiro[[1,4]oxazino[2,3-f][1,10]phenanthroline-2,2'-indole]?
(2S)-1',3',3'-trimethylspiro[[1,4]oxazino[2,3-f][1,10]phenanthroline-2,2'-indole] has a molecular weight of 380.45 g/mol, XLogP of 5.00, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1',3',3'-trimethylspiro[[1,4]oxazino[2,3-f][1,10]phenanthroline-2,2'-indole] is sourced from PubChem (CID 139114696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).