3-[[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzoyl]amino]-N-[(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide

C33H35N5O4 — CID 66638537

IUPAC3-[[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzoyl]amino]-N-[(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
SMILESCOc1ccc(C=NNC(=O)c2cc3ccccc3cc2NC(=O)c2cccc(CN3CCN(CCO)CC3)c2)cc1
InChIInChI=1S/C33H35N5O4/c1-42-29-11-9-24(10-12-29)22-34-36-33(41)30-20-26-6-2-3-7-27(26)21-31(30)35-32(40)28-8-4-5-25(19-28)23-38-15-13-37(14-16-38)17-18-39/h2-12,19-22,39H,13-18,23H2,1H3,(H,35,40)(H,36,41)
InChIKeyHYHSRZOGHIVUSG-UHFFFAOYSA-N
MW565.67 g/mol
LogP3.97
Rot. Bonds10

About 3-[[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzoyl]amino]-N-[(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide

3-[[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzoyl]amino]-N-[(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide (PubChem CID 66638537) has the molecular formula C33H35N5O4 and a molecular weight of 565.67 g/mol. Its IUPAC name is 3-[[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzoyl]amino]-N-[(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-[[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzoyl]amino]-N-[(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
PubChem CID66638537
Molecular FormulaC33H35N5O4
Molecular Weight565.67 g/mol
Exact Mass565.27
IUPAC Name3-[[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzoyl]amino]-N-[(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
SMILESCOc1ccc(C=NNC(=O)c2cc3ccccc3cc2NC(=O)c2cccc(CN3CCN(CCO)CC3)c2)cc1
InChIInChI=1S/C33H35N5O4/c1-42-29-11-9-24(10-12-29)22-34-36-33(41)30-20-26-6-2-3-7-27(26)21-31(30)35-32(40)28-8-4-5-25(19-28)23-38-15-13-37(14-16-38)17-18-39/h2-12,19-22,39H,13-18,23H2,1H3,(H,35,40)(H,36,41)
InChIKeyHYHSRZOGHIVUSG-UHFFFAOYSA-N
XLogP3.97
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.67
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzoyl]amino]-N-[(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide 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

N-[(E)-(3-fluorophenyl)methylideneamino]-3-[[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzoyl]amino]naphthalene-2-carboxamide
CID 23107339
5-bromo-2-[[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzoyl]amino]-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 23107775
N-[(3-fluorophenyl)methylideneamino]-2-[[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzoyl]amino]-5-piperidin-1-ylbenzamide
CID 66639324
N-[(4-methoxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
CID 724961
2-[[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzoyl]amino]-4-methyl-N-[(E)-(4-methylphenyl)methylideneamino]thiophene-3-carboxamide
CID 23108240
N-[(3,4-dimethylphenyl)methylideneamino]-3-[[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzoyl]amino]-4-methylthiophene-2-carboxamide
CID 66638649
5-bromo-2-[[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzoyl]amino]-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 23107764
5-bromo-N-[(E)-(4-fluorophenyl)methylideneamino]-2-[[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzoyl]amino]benzamide
CID 23107708
3-[[3-[[bis(2-hydroxypropyl)amino]methyl]benzoyl]amino]-N-[(4-methylphenyl)methylideneamino]naphthalene-2-carboxamide
CID 66638947
2-[[3-[(4-hydroxypiperidin-1-yl)methyl]benzoyl]amino]-N-[(E)-(4-methoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 23107427
3-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6869154
2-[(4-methoxybenzoyl)amino]-N-[(4-methoxyphenyl)methylideneamino]benzamide
CID 4614561

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzoyl]amino]-N-[(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide?
The IUPAC name of 3-[[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzoyl]amino]-N-[(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide (CID 66638537) is 3-[[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzoyl]amino]-N-[(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide.
What is the SMILES notation for 3-[[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzoyl]amino]-N-[(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide?
The canonical SMILES for 3-[[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzoyl]amino]-N-[(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide is COc1ccc(C=NNC(=O)c2cc3ccccc3cc2NC(=O)c2cccc(CN3CCN(CCO)CC3)c2)cc1.
What is the InChIKey of 3-[[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzoyl]amino]-N-[(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide?
The InChIKey is HYHSRZOGHIVUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N5O4/c1-42-29-11-9-24(10-12-29)22-34-36-33(41)30-20-26-6-2-3-7-27(26)21-31(30)35-32(40)28-8-4-5-25(19-28)23-38-15-13-37(14-16-38)17-18-39/h2-12,19-22,39H,13-18,23H2,1H3,(H,35,40)(H,36,41).
What are the key properties of 3-[[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzoyl]amino]-N-[(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide?
3-[[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzoyl]amino]-N-[(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide has a molecular weight of 565.67 g/mol, XLogP of 3.97, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzoyl]amino]-N-[(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide is sourced from PubChem (CID 66638537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).