(3R)-2-cyclohexylimino-3-(3-methoxyanilino)naphthalene-1,4-dione

C23H24N2O3 — CID 7266716

IUPAC(3R)-2-cyclohexylimino-3-(3-methoxyanilino)naphthalene-1,4-dione
SMILESCOc1cccc(N[C@H]2C(=O)c3ccccc3C(=O)/C2=N\C2CCCCC2)c1
InChIInChI=1S/C23H24N2O3/c1-28-17-11-7-10-16(14-17)25-21-20(24-15-8-3-2-4-9-15)22(26)18-12-5-6-13-19(18)23(21)27/h5-7,10-15,21,25H,2-4,8-9H2,1H3/b24-20-/t21-/m1/s1
InChIKeyPDZCZWYDSOUCSD-SSXUBFHHSA-N
MW376.46 g/mol
LogP4.33
Rot. Bonds4

About (3R)-2-cyclohexylimino-3-(3-methoxyanilino)naphthalene-1,4-dione

(3R)-2-cyclohexylimino-3-(3-methoxyanilino)naphthalene-1,4-dione (PubChem CID 7266716) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is (3R)-2-cyclohexylimino-3-(3-methoxyanilino)naphthalene-1,4-dione.

Molecular Properties

Compound Name(3R)-2-cyclohexylimino-3-(3-methoxyanilino)naphthalene-1,4-dione
PubChem CID7266716
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name(3R)-2-cyclohexylimino-3-(3-methoxyanilino)naphthalene-1,4-dione
SMILESCOc1cccc(N[C@H]2C(=O)c3ccccc3C(=O)/C2=N\C2CCCCC2)c1
InChIInChI=1S/C23H24N2O3/c1-28-17-11-7-10-16(14-17)25-21-20(24-15-8-3-2-4-9-15)22(26)18-12-5-6-13-19(18)23(21)27/h5-7,10-15,21,25H,2-4,8-9H2,1H3/b24-20-/t21-/m1/s1
InChIKeyPDZCZWYDSOUCSD-SSXUBFHHSA-N
XLogP4.33
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'keto_keto_gamma(5)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (3R)-2-cyclohexylimino-3-(3-methoxyanilino)naphthalene-1,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-2-(2-hydroxyethylimino)-3-(3-methoxyanilino)naphthalene-1,4-dione
CID 7325095
2-(3-methoxyanilino)-3-pyrrolidin-1-yl-2,3-dihydronaphthalene-1,4-dione
CID 137433196
N-(2,2-dimethylcyclopentyl)-3-methoxyaniline
CID 79864652
3-methoxy-N-[(1S,2S)-2-methylcyclopentyl]aniline
CID 96923143
trans-(1S,2S)-2-(3-methoxyanilino)cyclopentan-1-ol
CID 93345904
5-amino-1-(cyclohexylamino)-4-(3-methoxyanilino)anthracene-9,10-dione
CID 163637765
3,4-bis(3-methoxyanilino)cyclobut-3-ene-1,2-dione
CID 2824412
N-(3-methoxyphenyl)-2-[2-[(3-methoxyphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 122220853
N-(1-cyclopropylethyl)-3-methoxyaniline
CID 43196364
N-cyclopropyl-2-(3-methoxyanilino)propanamide
CID 43085846
N-cyclopentyl-N'-(3-methoxyphenyl)oxamide
CID 7541556
N-(4,4-difluorocyclohexyl)-3-methoxyaniline
CID 171662901

Frequently Asked Questions

What is the IUPAC name of (3R)-2-cyclohexylimino-3-(3-methoxyanilino)naphthalene-1,4-dione?
The IUPAC name of (3R)-2-cyclohexylimino-3-(3-methoxyanilino)naphthalene-1,4-dione (CID 7266716) is (3R)-2-cyclohexylimino-3-(3-methoxyanilino)naphthalene-1,4-dione.
What is the SMILES notation for (3R)-2-cyclohexylimino-3-(3-methoxyanilino)naphthalene-1,4-dione?
The canonical SMILES for (3R)-2-cyclohexylimino-3-(3-methoxyanilino)naphthalene-1,4-dione is COc1cccc(N[C@H]2C(=O)c3ccccc3C(=O)/C2=N\C2CCCCC2)c1.
What is the InChIKey of (3R)-2-cyclohexylimino-3-(3-methoxyanilino)naphthalene-1,4-dione?
The InChIKey is PDZCZWYDSOUCSD-SSXUBFHHSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-28-17-11-7-10-16(14-17)25-21-20(24-15-8-3-2-4-9-15)22(26)18-12-5-6-13-19(18)23(21)27/h5-7,10-15,21,25H,2-4,8-9H2,1H3/b24-20-/t21-/m1/s1.
What are the key properties of (3R)-2-cyclohexylimino-3-(3-methoxyanilino)naphthalene-1,4-dione?
(3R)-2-cyclohexylimino-3-(3-methoxyanilino)naphthalene-1,4-dione has a molecular weight of 376.46 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-cyclohexylimino-3-(3-methoxyanilino)naphthalene-1,4-dione is sourced from PubChem (CID 7266716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).