9-(diethylamino)-5-oxo-N-phenylbenzo[a]phenoxazine-6-carboxamide

C27H23N3O3 — CID 18730904

IUPAC9-(diethylamino)-5-oxo-N-phenylbenzo[a]phenoxazine-6-carboxamide
SMILESCCN(CC)c1ccc2nc3c4ccccc4c(=O)c(C(=O)Nc4ccccc4)c-3oc2c1
InChIInChI=1S/C27H23N3O3/c1-3-30(4-2)18-14-15-21-22(16-18)33-26-23(27(32)28-17-10-6-5-7-11-17)25(31)20-13-9-8-12-19(20)24(26)29-21/h5-16H,3-4H2,1-2H3,(H,28,32)
InChIKeyZJNCHKMOMFNSJQ-UHFFFAOYSA-N
MW437.50 g/mol
LogP5.54
Rot. Bonds5

About 9-(diethylamino)-5-oxo-N-phenylbenzo[a]phenoxazine-6-carboxamide

9-(diethylamino)-5-oxo-N-phenylbenzo[a]phenoxazine-6-carboxamide (PubChem CID 18730904) has the molecular formula C27H23N3O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is 9-(diethylamino)-5-oxo-N-phenylbenzo[a]phenoxazine-6-carboxamide.

Molecular Properties

Compound Name9-(diethylamino)-5-oxo-N-phenylbenzo[a]phenoxazine-6-carboxamide
PubChem CID18730904
Molecular FormulaC27H23N3O3
Molecular Weight437.50 g/mol
Exact Mass437.17
IUPAC Name9-(diethylamino)-5-oxo-N-phenylbenzo[a]phenoxazine-6-carboxamide
SMILESCCN(CC)c1ccc2nc3c4ccccc4c(=O)c(C(=O)Nc4ccccc4)c-3oc2c1
InChIInChI=1S/C27H23N3O3/c1-3-30(4-2)18-14-15-21-22(16-18)33-26-23(27(32)28-17-10-6-5-7-11-17)25(31)20-13-9-8-12-19(20)24(26)29-21/h5-16H,3-4H2,1-2H3,(H,28,32)
InChIKeyZJNCHKMOMFNSJQ-UHFFFAOYSA-N
XLogP5.54
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-bromo-9-(diethylamino)benzo[a]phenoxazin-5-one
CID 14512391
7-(diethylamino)-1,4-difluoro-2-phenylphenoxazin-3-one
CID 15808261
9-[bis(2-methoxyethyl)amino]-6-chlorobenzo[a]phenoxazin-5-one
CID 18730942
N-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-1-yl]acetamide
CID 20688806
N-[9-(diethylamino)-6-[3-(2,4-dimethylphenoxy)propylamino]-5-oxobenzo[a]phenoxazin-1-yl]-2,3,4,5,6-pentafluorobenzamide
CID 21134638
2-[4-(carboxymethyl)phenyl]-7-(diethylamino)-4-methoxy-3-oxophenoxazine-1-carboxylic acid
CID 70829235
N-[4-(diethylamino)phenyl]-2-oxochromene-3-carboxamide
CID 694759
N-[4-(diethylamino)phenyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 3408470
5-(2-chlorophenyl)imino-N,N-diethylbenzo[a]phenoxazin-9-amine
CID 56661665
5-(diethylamino)-N-phenylpyridine-2-carboxamide
CID 109194733
3-(diethylamino)benzo[c][1]benzoxepine-6,11-dione
CID 10085865
6-anilino-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 112847912

Frequently Asked Questions

What is the IUPAC name of 9-(diethylamino)-5-oxo-N-phenylbenzo[a]phenoxazine-6-carboxamide?
The IUPAC name of 9-(diethylamino)-5-oxo-N-phenylbenzo[a]phenoxazine-6-carboxamide (CID 18730904) is 9-(diethylamino)-5-oxo-N-phenylbenzo[a]phenoxazine-6-carboxamide.
What is the SMILES notation for 9-(diethylamino)-5-oxo-N-phenylbenzo[a]phenoxazine-6-carboxamide?
The canonical SMILES for 9-(diethylamino)-5-oxo-N-phenylbenzo[a]phenoxazine-6-carboxamide is CCN(CC)c1ccc2nc3c4ccccc4c(=O)c(C(=O)Nc4ccccc4)c-3oc2c1.
What is the InChIKey of 9-(diethylamino)-5-oxo-N-phenylbenzo[a]phenoxazine-6-carboxamide?
The InChIKey is ZJNCHKMOMFNSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O3/c1-3-30(4-2)18-14-15-21-22(16-18)33-26-23(27(32)28-17-10-6-5-7-11-17)25(31)20-13-9-8-12-19(20)24(26)29-21/h5-16H,3-4H2,1-2H3,(H,28,32).
What are the key properties of 9-(diethylamino)-5-oxo-N-phenylbenzo[a]phenoxazine-6-carboxamide?
9-(diethylamino)-5-oxo-N-phenylbenzo[a]phenoxazine-6-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(diethylamino)-5-oxo-N-phenylbenzo[a]phenoxazine-6-carboxamide is sourced from PubChem (CID 18730904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).