N,N-diethyl-7-iminonaphtho[2,3-a]phenoxazin-3-amine

C24H21N3O — CID 142048774

IUPACN,N-diethyl-7-iminonaphtho[2,3-a]phenoxazin-3-amine
SMILES[H]/N=c1\cc2oc3cc(N(CC)CC)ccc3nc-2c2cc3ccccc3cc12
InChIInChI=1S/C24H21N3O/c1-3-27(4-2)17-9-10-21-22(13-17)28-23-14-20(25)18-11-15-7-5-6-8-16(15)12-19(18)24(23)26-21/h5-14,25H,3-4H2,1-2H3/b25-20+
InChIKeyBTDPWGQCNMRRTJ-LKUDQCMESA-N
MW367.45 g/mol
LogP5.56
Rot. Bonds3

About N,N-diethyl-7-iminonaphtho[2,3-a]phenoxazin-3-amine

N,N-diethyl-7-iminonaphtho[2,3-a]phenoxazin-3-amine (PubChem CID 142048774) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is N,N-diethyl-7-iminonaphtho[2,3-a]phenoxazin-3-amine.

Molecular Properties

Compound NameN,N-diethyl-7-iminonaphtho[2,3-a]phenoxazin-3-amine
PubChem CID142048774
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC NameN,N-diethyl-7-iminonaphtho[2,3-a]phenoxazin-3-amine
SMILES[H]/N=c1\cc2oc3cc(N(CC)CC)ccc3nc-2c2cc3ccccc3cc12
InChIInChI=1S/C24H21N3O/c1-3-27(4-2)17-9-10-21-22(13-17)28-23-14-20(25)18-11-15-7-5-6-8-16(15)12-19(18)24(23)26-21/h5-14,25H,3-4H2,1-2H3/b25-20+
InChIKeyBTDPWGQCNMRRTJ-LKUDQCMESA-N
XLogP5.56
TPSA53.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-7-iminonaphtho[2,3-a]phenoxazin-3-amine?
The IUPAC name of N,N-diethyl-7-iminonaphtho[2,3-a]phenoxazin-3-amine (CID 142048774) is N,N-diethyl-7-iminonaphtho[2,3-a]phenoxazin-3-amine.
What is the SMILES notation for N,N-diethyl-7-iminonaphtho[2,3-a]phenoxazin-3-amine?
The canonical SMILES for N,N-diethyl-7-iminonaphtho[2,3-a]phenoxazin-3-amine is [H]/N=c1\cc2oc3cc(N(CC)CC)ccc3nc-2c2cc3ccccc3cc12.
What is the InChIKey of N,N-diethyl-7-iminonaphtho[2,3-a]phenoxazin-3-amine?
The InChIKey is BTDPWGQCNMRRTJ-LKUDQCMESA-N. The full InChI is InChI=1S/C24H21N3O/c1-3-27(4-2)17-9-10-21-22(13-17)28-23-14-20(25)18-11-15-7-5-6-8-16(15)12-19(18)24(23)26-21/h5-14,25H,3-4H2,1-2H3/b25-20+.
What are the key properties of N,N-diethyl-7-iminonaphtho[2,3-a]phenoxazin-3-amine?
N,N-diethyl-7-iminonaphtho[2,3-a]phenoxazin-3-amine has a molecular weight of 367.45 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-7-iminonaphtho[2,3-a]phenoxazin-3-amine is sourced from PubChem (CID 142048774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).