8-amino-4-(4-butoxyphenyl)imino-5-hydroxynaphthalen-1-one

C20H20N2O3 — CID 135709756

IUPAC8-amino-4-(4-butoxyphenyl)imino-5-hydroxynaphthalen-1-one
SMILESCCCCOc1ccc(/N=C2\C=CC(=O)c3c(N)ccc(O)c32)cc1
InChIInChI=1S/C20H20N2O3/c1-2-3-12-25-14-6-4-13(5-7-14)22-16-9-11-17(23)19-15(21)8-10-18(24)20(16)19/h4-11,24H,2-3,12,21H2,1H3/b22-16+
InChIKeyQGLKWIGJJBHYIX-CJLVFECKSA-N
MW336.39 g/mol
LogP4.03
Rot. Bonds5

About 8-amino-4-(4-butoxyphenyl)imino-5-hydroxynaphthalen-1-one

8-amino-4-(4-butoxyphenyl)imino-5-hydroxynaphthalen-1-one (PubChem CID 135709756) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 8-amino-4-(4-butoxyphenyl)imino-5-hydroxynaphthalen-1-one.

Molecular Properties

Compound Name8-amino-4-(4-butoxyphenyl)imino-5-hydroxynaphthalen-1-one
PubChem CID135709756
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name8-amino-4-(4-butoxyphenyl)imino-5-hydroxynaphthalen-1-one
SMILESCCCCOc1ccc(/N=C2\C=CC(=O)c3c(N)ccc(O)c32)cc1
InChIInChI=1S/C20H20N2O3/c1-2-3-12-25-14-6-4-13(5-7-14)22-16-9-11-17(23)19-15(21)8-10-18(24)20(16)19/h4-11,24H,2-3,12,21H2,1H3/b22-16+
InChIKeyQGLKWIGJJBHYIX-CJLVFECKSA-N
XLogP4.03
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

8-amino-4-(4-ethylphenyl)imino-5-hydroxynaphthalen-1-one
CID 135709752
4-[(4-butoxyphenyl)diazenyl]benzenesulfonamide
CID 3089332
4-[(4-butoxyphenyl)diazenyl]aniline
CID 3684446
5,8-dihydroxy-2-(4-octoxyanilino)naphthalene-1,4-dione
CID 54217766
(4-butoxyphenyl)-[4-[8-[4-[(4-butoxyphenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 101490875
4-[(4-octadecoxyphenyl)diazenyl]phenol
CID 136734796
4,8-diamino-2-[4-(4-fluorobutoxy)phenyl]-1,5-dihydroxyanthracene-9,10-dione
CID 22561480
bis(4-heptoxyphenyl)diazene
CID 13087198
dihexyl (2S,3R)-2,3-bis[6-[4-[(4-nitrophenyl)diazenyl]phenoxy]hexoxy]butanedioate
CID 102383801
4-butoxy-N'-hydroxybenzenecarboximidamide
CID 2255598
propyl 4-butoxybenzoate
CID 43389566
4-[4-[(4-butoxyphenyl)diazenyl]benzoyl]oxybutyl 4-[(4-butoxyphenyl)diazenyl]benzoate
CID 102178848

Frequently Asked Questions

What is the IUPAC name of 8-amino-4-(4-butoxyphenyl)imino-5-hydroxynaphthalen-1-one?
The IUPAC name of 8-amino-4-(4-butoxyphenyl)imino-5-hydroxynaphthalen-1-one (CID 135709756) is 8-amino-4-(4-butoxyphenyl)imino-5-hydroxynaphthalen-1-one.
What is the SMILES notation for 8-amino-4-(4-butoxyphenyl)imino-5-hydroxynaphthalen-1-one?
The canonical SMILES for 8-amino-4-(4-butoxyphenyl)imino-5-hydroxynaphthalen-1-one is CCCCOc1ccc(/N=C2\C=CC(=O)c3c(N)ccc(O)c32)cc1.
What is the InChIKey of 8-amino-4-(4-butoxyphenyl)imino-5-hydroxynaphthalen-1-one?
The InChIKey is QGLKWIGJJBHYIX-CJLVFECKSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-2-3-12-25-14-6-4-13(5-7-14)22-16-9-11-17(23)19-15(21)8-10-18(24)20(16)19/h4-11,24H,2-3,12,21H2,1H3/b22-16+.
What are the key properties of 8-amino-4-(4-butoxyphenyl)imino-5-hydroxynaphthalen-1-one?
8-amino-4-(4-butoxyphenyl)imino-5-hydroxynaphthalen-1-one has a molecular weight of 336.39 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-4-(4-butoxyphenyl)imino-5-hydroxynaphthalen-1-one is sourced from PubChem (CID 135709756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).