4-[4-(diethylamino)phenyl]imino-5-hydroxynaphthalen-1-one

C20H20N2O2 — CID 137280947

IUPAC4-[4-(diethylamino)phenyl]imino-5-hydroxynaphthalen-1-one
SMILESCCN(CC)c1ccc(/N=C2\C=CC(=O)c3cccc(O)c32)cc1
InChIInChI=1S/C20H20N2O2/c1-3-22(4-2)15-10-8-14(9-11-15)21-17-12-13-18(23)16-6-5-7-19(24)20(16)17/h5-13,24H,3-4H2,1-2H3/b21-17+
InChIKeyMCWWOTOFCUQYFV-HEHNFIMWSA-N
MW320.39 g/mol
LogP4.11
Rot. Bonds4

About 4-[4-(diethylamino)phenyl]imino-5-hydroxynaphthalen-1-one

4-[4-(diethylamino)phenyl]imino-5-hydroxynaphthalen-1-one (PubChem CID 137280947) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-[4-(diethylamino)phenyl]imino-5-hydroxynaphthalen-1-one.

Molecular Properties

Compound Name4-[4-(diethylamino)phenyl]imino-5-hydroxynaphthalen-1-one
PubChem CID137280947
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name4-[4-(diethylamino)phenyl]imino-5-hydroxynaphthalen-1-one
SMILESCCN(CC)c1ccc(/N=C2\C=CC(=O)c3cccc(O)c32)cc1
InChIInChI=1S/C20H20N2O2/c1-3-22(4-2)15-10-8-14(9-11-15)21-17-12-13-18(23)16-6-5-7-19(24)20(16)17/h5-13,24H,3-4H2,1-2H3/b21-17+
InChIKeyMCWWOTOFCUQYFV-HEHNFIMWSA-N
XLogP4.11
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[4-(N-phenylanilino)phenyl]iminonaphthalen-1-one
CID 91744769
4-[4-(diethylamino)phenyl]imino-1-oxonaphthalene-2-carboxamide
CID 58876656
4-(4-hydroxyphenyl)iminonaphthalen-1-one
CID 102089566
8-amino-4-(4-ethylphenyl)imino-5-hydroxynaphthalen-1-one
CID 135709752
5-hydroxynaphthalene-1,4-dione;molecular fluorine
CID 158904542
5-hydroxynaphthalene-1,4-dione;propan-2-ol
CID 174921085
3-(diethylamino)-6-[4-(diethylamino)-2-hydroxyphenyl]iminocyclohexa-2,4-dien-1-one
CID 100989983
4-[[4-(4-ethenylphenyl)iminonaphthalen-1-ylidene]-(4-methylphenyl)methyl]-N,N-diethylaniline
CID 159806073
8-amino-4-(4-butoxyphenyl)imino-5-hydroxynaphthalen-1-one
CID 135709756
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
5-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
CID 136609205

Frequently Asked Questions

What is the IUPAC name of 4-[4-(diethylamino)phenyl]imino-5-hydroxynaphthalen-1-one?
The IUPAC name of 4-[4-(diethylamino)phenyl]imino-5-hydroxynaphthalen-1-one (CID 137280947) is 4-[4-(diethylamino)phenyl]imino-5-hydroxynaphthalen-1-one.
What is the SMILES notation for 4-[4-(diethylamino)phenyl]imino-5-hydroxynaphthalen-1-one?
The canonical SMILES for 4-[4-(diethylamino)phenyl]imino-5-hydroxynaphthalen-1-one is CCN(CC)c1ccc(/N=C2\C=CC(=O)c3cccc(O)c32)cc1.
What is the InChIKey of 4-[4-(diethylamino)phenyl]imino-5-hydroxynaphthalen-1-one?
The InChIKey is MCWWOTOFCUQYFV-HEHNFIMWSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-3-22(4-2)15-10-8-14(9-11-15)21-17-12-13-18(23)16-6-5-7-19(24)20(16)17/h5-13,24H,3-4H2,1-2H3/b21-17+.
What are the key properties of 4-[4-(diethylamino)phenyl]imino-5-hydroxynaphthalen-1-one?
4-[4-(diethylamino)phenyl]imino-5-hydroxynaphthalen-1-one has a molecular weight of 320.39 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(diethylamino)phenyl]imino-5-hydroxynaphthalen-1-one is sourced from PubChem (CID 137280947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).