(7-amino-10-methylphenothiazin-3-yl)-phenylmethanone

C20H16N2OS — CID 44968124

IUPAC(7-amino-10-methylphenothiazin-3-yl)-phenylmethanone
SMILESCN1c2ccc(N)cc2Sc2cc(C(=O)c3ccccc3)ccc21
InChIInChI=1S/C20H16N2OS/c1-22-16-9-7-14(20(23)13-5-3-2-4-6-13)11-18(16)24-19-12-15(21)8-10-17(19)22/h2-12H,21H2,1H3
InChIKeyHPEOOBSXTJPSHW-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.73
Rot. Bonds2

About (7-amino-10-methylphenothiazin-3-yl)-phenylmethanone

(7-amino-10-methylphenothiazin-3-yl)-phenylmethanone (PubChem CID 44968124) has the molecular formula C20H16N2OS and a molecular weight of 332.43 g/mol. Its IUPAC name is (7-amino-10-methylphenothiazin-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(7-amino-10-methylphenothiazin-3-yl)-phenylmethanone
PubChem CID44968124
Molecular FormulaC20H16N2OS
Molecular Weight332.43 g/mol
Exact Mass332.10
IUPAC Name(7-amino-10-methylphenothiazin-3-yl)-phenylmethanone
SMILESCN1c2ccc(N)cc2Sc2cc(C(=O)c3ccccc3)ccc21
InChIInChI=1S/C20H16N2OS/c1-22-16-9-7-14(20(23)13-5-3-2-4-6-13)11-18(16)24-19-12-15(21)8-10-17(19)22/h2-12H,21H2,1H3
InChIKeyHPEOOBSXTJPSHW-UHFFFAOYSA-N
XLogP4.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(8-benzoylthianthren-2-yl)-phenylmethanone
CID 19906753
(4-aminophenyl)-phenylmethanone
CID 14346
(3-aminophenyl)-phenylmethanone
CID 17817
(3-aminophenyl)-(4-aminophenyl)methanone;bis(4-aminophenyl)methanone
CID 160593593
(3-aminophenyl)-(4-aminophenyl)methanone;bis(3-aminophenyl)methanone
CID 69316817
(4-azidophenyl)-(7-bromo-10-methylphenothiazin-3-yl)methanone
CID 44968146
(6-amino-9-ethylcarbazol-3-yl)-phenylmethanone
CID 118892872
3-(10-methylphenothiazin-3-yl)-1-phenylprop-2-en-1-one
CID 71367534
(3-benzoylphenyl)-phenylmethanone;ethane
CID 145125865
2-amino-5-benzoylbenzaldehyde
CID 58625138
(3-aminophenyl)-[4-(2-phenylethynyl)phenyl]methanone
CID 23352814
diphenylmethanone;ethane
CID 158014879

Frequently Asked Questions

What is the IUPAC name of (7-amino-10-methylphenothiazin-3-yl)-phenylmethanone?
The IUPAC name of (7-amino-10-methylphenothiazin-3-yl)-phenylmethanone (CID 44968124) is (7-amino-10-methylphenothiazin-3-yl)-phenylmethanone.
What is the SMILES notation for (7-amino-10-methylphenothiazin-3-yl)-phenylmethanone?
The canonical SMILES for (7-amino-10-methylphenothiazin-3-yl)-phenylmethanone is CN1c2ccc(N)cc2Sc2cc(C(=O)c3ccccc3)ccc21.
What is the InChIKey of (7-amino-10-methylphenothiazin-3-yl)-phenylmethanone?
The InChIKey is HPEOOBSXTJPSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS/c1-22-16-9-7-14(20(23)13-5-3-2-4-6-13)11-18(16)24-19-12-15(21)8-10-17(19)22/h2-12H,21H2,1H3.
What are the key properties of (7-amino-10-methylphenothiazin-3-yl)-phenylmethanone?
(7-amino-10-methylphenothiazin-3-yl)-phenylmethanone has a molecular weight of 332.43 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-10-methylphenothiazin-3-yl)-phenylmethanone is sourced from PubChem (CID 44968124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).