N-hydroxy-4-[(E)-2-(naphthalen-1-yloxymethyl)-3-(quinolin-3-ylamino)prop-1-enyl]benzamide

C30H25N3O3 — CID 11540152

IUPACN-hydroxy-4-[(E)-2-(naphthalen-1-yloxymethyl)-3-(quinolin-3-ylamino)prop-1-enyl]benzamide
SMILESO=C(NO)c1ccc(/C=C(\CNc2cnc3ccccc3c2)COc2cccc3ccccc23)cc1
InChIInChI=1S/C30H25N3O3/c34-30(33-35)24-14-12-21(13-15-24)16-22(18-31-26-17-25-7-2-4-10-28(25)32-19-26)20-36-29-11-5-8-23-6-1-3-9-27(23)29/h1-17,19,31,35H,18,20H2,(H,33,34)/b22-16+
InChIKeyJHYHYDVDGKRDCH-CJLVFECKSA-N
MW475.55 g/mol
LogP6.08
Rot. Bonds8

About N-hydroxy-4-[(E)-2-(naphthalen-1-yloxymethyl)-3-(quinolin-3-ylamino)prop-1-enyl]benzamide

N-hydroxy-4-[(E)-2-(naphthalen-1-yloxymethyl)-3-(quinolin-3-ylamino)prop-1-enyl]benzamide (PubChem CID 11540152) has the molecular formula C30H25N3O3 and a molecular weight of 475.55 g/mol. Its IUPAC name is N-hydroxy-4-[(E)-2-(naphthalen-1-yloxymethyl)-3-(quinolin-3-ylamino)prop-1-enyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(E)-2-(naphthalen-1-yloxymethyl)-3-(quinolin-3-ylamino)prop-1-enyl]benzamide
PubChem CID11540152
Molecular FormulaC30H25N3O3
Molecular Weight475.55 g/mol
Exact Mass475.19
IUPAC NameN-hydroxy-4-[(E)-2-(naphthalen-1-yloxymethyl)-3-(quinolin-3-ylamino)prop-1-enyl]benzamide
SMILESO=C(NO)c1ccc(/C=C(\CNc2cnc3ccccc3c2)COc2cccc3ccccc23)cc1
InChIInChI=1S/C30H25N3O3/c34-30(33-35)24-14-12-21(13-15-24)16-22(18-31-26-17-25-7-2-4-10-28(25)32-19-26)20-36-29-11-5-8-23-6-1-3-9-27(23)29/h1-17,19,31,35H,18,20H2,(H,33,34)/b22-16+
InChIKeyJHYHYDVDGKRDCH-CJLVFECKSA-N
XLogP6.08
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.55
LogP ≤ 56.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-4-[2-[(4-phenylmethoxyphenoxy)methyl]-3-(quinolin-3-ylamino)prop-1-enyl]benzamide
CID 73036878
N-hydroxy-4-[(E)-2-[(3-methoxyphenyl)sulfanylmethyl]-3-(quinolin-3-ylamino)prop-1-enyl]benzamide
CID 11684264
N-hydroxy-4-[(Z)-4-naphthalen-1-yloxy-2-[(pyridin-3-ylamino)methyl]but-1-enyl]benzamide
CID 11633550
N-hydroxy-4-[(E)-2-[(2-methoxyethylamino)methyl]-3-naphthalen-1-yloxyprop-1-enyl]benzamide
CID 87225914
N-hydroxy-4-[(Z)-4-naphthalen-1-yloxy-2-[(4-phenylanilino)methyl]but-1-enyl]benzamide
CID 11598751
N-hydroxy-4-[2-(naphthalen-1-yloxymethyl)-3-(thiophen-2-ylmethylamino)prop-1-enyl]benzamide
CID 91528131
4-[2-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-3-naphthalen-1-yloxyprop-1-enyl]-N-hydroxybenzamide
CID 74349235
4-[(Z)-2-[[2-[di(propan-2-yl)amino]ethylamino]methyl]-3-naphthalen-1-yloxyprop-1-enyl]-N-hydroxybenzamide
CID 24896815
4-[(E)-2-[(4-chloronaphthalen-1-yl)oxymethyl]-3-(3,4-dimethoxyanilino)prop-1-enyl]-N-hydroxybenzamide
CID 11642114
4-[(E)-2-[[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]methyl]-4-naphthalen-1-yloxybut-1-enyl]-N-hydroxybenzamide
CID 87894878
4-[(Z)-2-[(cyclopentylamino)methyl]-4-naphthalen-1-yloxybut-1-enyl]-N-hydroxybenzamide
CID 11495705
N-hydroxy-4-[4-hydroxy-4-naphthalen-1-yl-2-[(naphthalen-2-ylamino)methyl]but-1-enyl]benzamide
CID 173185485

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(E)-2-(naphthalen-1-yloxymethyl)-3-(quinolin-3-ylamino)prop-1-enyl]benzamide?
The IUPAC name of N-hydroxy-4-[(E)-2-(naphthalen-1-yloxymethyl)-3-(quinolin-3-ylamino)prop-1-enyl]benzamide (CID 11540152) is N-hydroxy-4-[(E)-2-(naphthalen-1-yloxymethyl)-3-(quinolin-3-ylamino)prop-1-enyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(E)-2-(naphthalen-1-yloxymethyl)-3-(quinolin-3-ylamino)prop-1-enyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(E)-2-(naphthalen-1-yloxymethyl)-3-(quinolin-3-ylamino)prop-1-enyl]benzamide is O=C(NO)c1ccc(/C=C(\CNc2cnc3ccccc3c2)COc2cccc3ccccc23)cc1.
What is the InChIKey of N-hydroxy-4-[(E)-2-(naphthalen-1-yloxymethyl)-3-(quinolin-3-ylamino)prop-1-enyl]benzamide?
The InChIKey is JHYHYDVDGKRDCH-CJLVFECKSA-N. The full InChI is InChI=1S/C30H25N3O3/c34-30(33-35)24-14-12-21(13-15-24)16-22(18-31-26-17-25-7-2-4-10-28(25)32-19-26)20-36-29-11-5-8-23-6-1-3-9-27(23)29/h1-17,19,31,35H,18,20H2,(H,33,34)/b22-16+.
What are the key properties of N-hydroxy-4-[(E)-2-(naphthalen-1-yloxymethyl)-3-(quinolin-3-ylamino)prop-1-enyl]benzamide?
N-hydroxy-4-[(E)-2-(naphthalen-1-yloxymethyl)-3-(quinolin-3-ylamino)prop-1-enyl]benzamide has a molecular weight of 475.55 g/mol, XLogP of 6.08, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(E)-2-(naphthalen-1-yloxymethyl)-3-(quinolin-3-ylamino)prop-1-enyl]benzamide is sourced from PubChem (CID 11540152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).