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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Related Compounds

5-(2-chlorophenyl)imino-N,N-diethylbenzo[a]phenoxazin-9-amine
CID 56661665
N,N-diethyl-5-pyridin-2-yliminobenzo[a]phenoxazin-9-amine
CID 66870971
zinc;7-N,7-N-diethyl-3-imino-4-methylphenoxazine-1,7-diamine;dichloride;dihydrochloride
CID 170845990
7-[4,4-dimethyl-6-[methyl(3-methylbutyl)amino]hexyl]imino-N,N-diethylnaphtho[2,3-a]phenoxazin-3-amine
CID 54030938
3-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-2-yl]prop-2-ynenitrile;ethane
CID 144768606
6-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-2-yl]oxyhexanoic acid
CID 10527463
N,N-diethyl-3-methyl-5-pyridin-2-yliminobenzo[a]phenoxazin-9-amine
CID 70914310
(5E)-3-bromo-N,N-diethyl-5-pyridin-2-yliminobenzo[a]phenoxazin-9-amine
CID 54580679
2-[2-(3-aminophenyl)ethynyl]-9-(diethylamino)benzo[a]phenoxazin-5-one
CID 153356345
4-[2-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-2-yl]ethynyl]phthalic acid
CID 102469977
6-bromo-9-(diethylamino)benzo[a]phenoxazin-5-one
CID 14512391
N-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-1-yl]acetamide
CID 20688806

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).