7-(furan-2-ylmethylamino)-1-methyl-14H-naphtho[3,2-a]phenoxazine-8,13-dione

C26H18N2O4 — CID 4586957

IUPAC7-(furan-2-ylmethylamino)-1-methyl-14H-naphtho[3,2-a]phenoxazine-8,13-dione
SMILESCc1cccc2oc3cc(NCc4ccco4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c12
InChIInChI=1S/C26H18N2O4/c1-14-6-4-10-19-23(14)28-24-20(32-19)12-18(27-13-15-7-5-11-31-15)21-22(24)26(30)17-9-3-2-8-16(17)25(21)29/h2-12,27-28H,13H2,1H3
InChIKeyXQCCCJMTPKMRRN-UHFFFAOYSA-N
MW422.44 g/mol
LogP5.45
Rot. Bonds3

About 7-(furan-2-ylmethylamino)-1-methyl-14H-naphtho[3,2-a]phenoxazine-8,13-dione

7-(furan-2-ylmethylamino)-1-methyl-14H-naphtho[3,2-a]phenoxazine-8,13-dione (PubChem CID 4586957) has the molecular formula C26H18N2O4 and a molecular weight of 422.44 g/mol. Its IUPAC name is 7-(furan-2-ylmethylamino)-1-methyl-14H-naphtho[3,2-a]phenoxazine-8,13-dione.

Molecular Properties

Compound Name7-(furan-2-ylmethylamino)-1-methyl-14H-naphtho[3,2-a]phenoxazine-8,13-dione
PubChem CID4586957
Molecular FormulaC26H18N2O4
Molecular Weight422.44 g/mol
Exact Mass422.13
IUPAC Name7-(furan-2-ylmethylamino)-1-methyl-14H-naphtho[3,2-a]phenoxazine-8,13-dione
SMILESCc1cccc2oc3cc(NCc4ccco4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c12
InChIInChI=1S/C26H18N2O4/c1-14-6-4-10-19-23(14)28-24-20(32-19)12-18(27-13-15-7-5-11-31-15)21-22(24)26(30)17-9-3-2-8-16(17)25(21)29/h2-12,27-28H,13H2,1H3
InChIKeyXQCCCJMTPKMRRN-UHFFFAOYSA-N
XLogP5.45
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.44
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7-(furan-2-ylmethylamino)-1-methyl-14H-naphtho[3,2-a]phenoxazine-8,13-dione with MolForge

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Related Compounds

2-fluoro-N-(furan-2-ylmethyl)-3-methylaniline
CID 115904329
7-methyl-9-azaheptacyclo[19.8.0.02,10.03,8.011,20.013,18.023,28]nonacosa-1,3,5,7,10,13,15,17,20,23,25,27-dodecaene-12,19,22,29-tetrone
CID 19431832
6-(furan-2-ylmethylamino)-7-methylchromen-2-one
CID 45104075
7-[3-[benzyl(methyl)amino]propylamino]-3-tert-butyl-14H-naphtho[3,2-a]phenoxazine-8,13-dione
CID 5195927
4-N-(furan-2-ylmethyl)-2,5-dimethylbenzene-1,4-diamine
CID 91672017
3-tert-butyl-7-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-14H-naphtho[3,2-a]phenoxazine-8,13-dione
CID 3771103
7-hydroxy-2-methyl-8,13-dioxo-14H-naphtho[2,3-a]phenoxazine-3-sulfonyl chloride
CID 56630321
1-N-(furan-2-ylmethyl)-4-methylbenzene-1,2-diamine
CID 43349415
N-(furan-2-ylmethyl)-5-methoxy-2-methylaniline
CID 115743618
N-(furan-2-ylmethyl)-2-methoxy-5-methylaniline
CID 23879682
4-fluoro-1-N-(furan-2-ylmethyl)-5-methylbenzene-1,2-diamine
CID 103589771
3-(furan-2-ylmethylamino)-2-methylbenzenesulfonamide
CID 54867068

Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-ylmethylamino)-1-methyl-14H-naphtho[3,2-a]phenoxazine-8,13-dione?
The IUPAC name of 7-(furan-2-ylmethylamino)-1-methyl-14H-naphtho[3,2-a]phenoxazine-8,13-dione (CID 4586957) is 7-(furan-2-ylmethylamino)-1-methyl-14H-naphtho[3,2-a]phenoxazine-8,13-dione.
What is the SMILES notation for 7-(furan-2-ylmethylamino)-1-methyl-14H-naphtho[3,2-a]phenoxazine-8,13-dione?
The canonical SMILES for 7-(furan-2-ylmethylamino)-1-methyl-14H-naphtho[3,2-a]phenoxazine-8,13-dione is Cc1cccc2oc3cc(NCc4ccco4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c12.
What is the InChIKey of 7-(furan-2-ylmethylamino)-1-methyl-14H-naphtho[3,2-a]phenoxazine-8,13-dione?
The InChIKey is XQCCCJMTPKMRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O4/c1-14-6-4-10-19-23(14)28-24-20(32-19)12-18(27-13-15-7-5-11-31-15)21-22(24)26(30)17-9-3-2-8-16(17)25(21)29/h2-12,27-28H,13H2,1H3.
What are the key properties of 7-(furan-2-ylmethylamino)-1-methyl-14H-naphtho[3,2-a]phenoxazine-8,13-dione?
7-(furan-2-ylmethylamino)-1-methyl-14H-naphtho[3,2-a]phenoxazine-8,13-dione has a molecular weight of 422.44 g/mol, XLogP of 5.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-ylmethylamino)-1-methyl-14H-naphtho[3,2-a]phenoxazine-8,13-dione is sourced from PubChem (CID 4586957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).