3-phenyl-3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridine

C21H16N2O — CID 44415990

IUPAC3-phenyl-3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridine
SMILESC1C2=C(C=CC3=CC4=CC=CC=C4N=C23)NC(O1)C5=CC=CC=C5
InChIInChI=1S/C21H16N2O/c1-2-6-14(7-3-1)21-23-19-11-10-16-12-15-8-4-5-9-18(15)22-20(16)17(19)13-24-21/h1-12,21,23H,13H2
InChIKeyVUKMDNGUZFMBCL-UHFFFAOYSA-N
MW312.40 g/mol
LogP4.20
Rot. Bonds1

About 3-phenyl-3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridine

3-phenyl-3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridine (PubChem CID 44415990) has the molecular formula C21H16N2O and a molecular weight of 312.40 g/mol. Its IUPAC name is 3-phenyl-3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridine.

Molecular Properties

Compound Name3-phenyl-3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridine
PubChem CID44415990
Molecular FormulaC21H16N2O
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC Name3-phenyl-3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridine
SMILESC1C2=C(C=CC3=CC4=CC=CC=C4N=C23)NC(O1)C5=CC=CC=C5
InChIInChI=1S/C21H16N2O/c1-2-6-14(7-3-1)21-23-19-11-10-16-12-15-8-4-5-9-18(15)22-20(16)17(19)13-24-21/h1-12,21,23H,13H2
InChIKeyVUKMDNGUZFMBCL-UHFFFAOYSA-N
XLogP4.20
TPSA34.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity436

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

[3-(Acridin-9-ylamino)-5-aminophenyl]methyl acetate
CID 10043880
[3-(acridin-9-ylamino)-5-aminophenyl]methyl N-methylcarbamate
CID 10248698
[3-Amino-5-[(4-methylacridin-9-yl)amino]phenyl]methanol
CID 10520399
ethyl N-[6-amino-5-(hydroxymethyl)acridin-3-yl]carbamate
CID 10018345
tert-butyl N-[3-(acridin-9-ylamino)-5-(methylcarbamoyloxymethyl)phenyl]carbamate
CID 10322576
Acridine,3-amino-4-hydroxymethyl
CID 10443606
Benzyl {3-[(acridin-9-yl)amino]-5-(hydroxymethyl)phenyl}carbamate
CID 10623394
1H,3H-Bis[1,3]oxazino[4,5-c:5',4'-h]acridine-4,10(11H,13H)-dicarboxylic acid, 4,10-diethyl ester
CID 10873815
4,10,11,13-Tetrahydro-1H,3H-bis[1,3]oxazino[4,5-c:5',4'-h]acridine
CID 10979246
[10-(methylamino)-3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridin-11-yl]methanol
CID 11011881
{4-[4-(3-Piperidin-1-yl-propoxy)-phenyl]-butyl}-(1,2,3,4-tetrahydro-acridin-9-yl)-amine; Oxalic acid
CID 11048988
ethyl N-[5-(hydroxymethyl)-6-(methylamino)acridin-3-yl]carbamate
CID 11067336

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridine?
The IUPAC name of 3-phenyl-3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridine (CID 44415990) is 3-phenyl-3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridine.
What is the SMILES notation for 3-phenyl-3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridine?
The canonical SMILES for 3-phenyl-3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridine is C1C2=C(C=CC3=CC4=CC=CC=C4N=C23)NC(O1)C5=CC=CC=C5.
What is the InChIKey of 3-phenyl-3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridine?
The InChIKey is VUKMDNGUZFMBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O/c1-2-6-14(7-3-1)21-23-19-11-10-16-12-15-8-4-5-9-18(15)22-20(16)17(19)13-24-21/h1-12,21,23H,13H2.
What are the key properties of 3-phenyl-3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridine?
3-phenyl-3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridine has a molecular weight of 312.40 g/mol, XLogP of 4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridine is sourced from PubChem (CID 44415990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).