N,3-dihydroxy-2-[(4-methoxyphenyl)methyl]-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]propanamide

C28H28N2O5 — CID 10367542

IUPACN,3-dihydroxy-2-[(4-methoxyphenyl)methyl]-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]propanamide
SMILESCOc1ccc(CC(C(=O)NO)C(O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)cc1
InChIInChI=1S/C28H28N2O5/c1-18-15-21(24-5-3-4-6-26(24)29-18)17-35-23-13-9-20(10-14-23)27(31)25(28(32)30-33)16-19-7-11-22(34-2)12-8-19/h3-15,25,27,31,33H,16-17H2,1-2H3,(H,30,32)
InChIKeyDCSSHGKEEMIOCL-UHFFFAOYSA-N
MW472.54 g/mol
LogP4.53
Rot. Bonds9

About N,3-dihydroxy-2-[(4-methoxyphenyl)methyl]-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]propanamide

N,3-dihydroxy-2-[(4-methoxyphenyl)methyl]-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]propanamide (PubChem CID 10367542) has the molecular formula C28H28N2O5 and a molecular weight of 472.54 g/mol. Its IUPAC name is N,3-dihydroxy-2-[(4-methoxyphenyl)methyl]-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]propanamide.

Molecular Properties

Compound NameN,3-dihydroxy-2-[(4-methoxyphenyl)methyl]-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]propanamide
PubChem CID10367542
Molecular FormulaC28H28N2O5
Molecular Weight472.54 g/mol
Exact Mass472.20
IUPAC NameN,3-dihydroxy-2-[(4-methoxyphenyl)methyl]-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]propanamide
SMILESCOc1ccc(CC(C(=O)NO)C(O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)cc1
InChIInChI=1S/C28H28N2O5/c1-18-15-21(24-5-3-4-6-26(24)29-18)17-35-23-13-9-20(10-14-23)27(31)25(28(32)30-33)16-19-7-11-22(34-2)12-8-19/h3-15,25,27,31,33H,16-17H2,1-2H3,(H,30,32)
InChIKeyDCSSHGKEEMIOCL-UHFFFAOYSA-N
XLogP4.53
TPSA100.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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,3-dihydroxy-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-(pyridin-3-ylmethyl)propanamide
CID 10456088
2-[[2-amino-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]amino]-N-hydroxy-2-methylpropanamide
CID 22616989
4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775
[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methanamine
CID 22148915
methyl (1R)-3-(hydroxycarbamoyl)-2,2-dimethyl-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate
CID 59978639
2-[2-aminoethyl-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]amino]-N-hydroxy-4-methylpentanamide
CID 142846836
cis-ethyl (1R,2S)-2-[[(2S)-1-(hydroxyamino)-1-oxopropan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate
CID 59978458
ethyl 2-[[1-(hydroxyamino)-1-oxopropan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate
CID 20748653
cis-(1S,2R)-2-methoxycarbonyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylic acid
CID 24800832
[[4-(hydroxyamino)-4-oxo-1-phenylbutan-2-yl]-[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino] 2,2,2-trifluoroacetate
CID 139969315
2-[(2S)-2-(diethylamino)-3-(hydroxyamino)-3-oxopropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 140702154
4-[(2-methylquinolin-4-yl)methoxy]benzenesulfinic acid
CID 22032785

Frequently Asked Questions

What is the IUPAC name of N,3-dihydroxy-2-[(4-methoxyphenyl)methyl]-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]propanamide?
The IUPAC name of N,3-dihydroxy-2-[(4-methoxyphenyl)methyl]-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]propanamide (CID 10367542) is N,3-dihydroxy-2-[(4-methoxyphenyl)methyl]-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]propanamide.
What is the SMILES notation for N,3-dihydroxy-2-[(4-methoxyphenyl)methyl]-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]propanamide?
The canonical SMILES for N,3-dihydroxy-2-[(4-methoxyphenyl)methyl]-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]propanamide is COc1ccc(CC(C(=O)NO)C(O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)cc1.
What is the InChIKey of N,3-dihydroxy-2-[(4-methoxyphenyl)methyl]-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]propanamide?
The InChIKey is DCSSHGKEEMIOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O5/c1-18-15-21(24-5-3-4-6-26(24)29-18)17-35-23-13-9-20(10-14-23)27(31)25(28(32)30-33)16-19-7-11-22(34-2)12-8-19/h3-15,25,27,31,33H,16-17H2,1-2H3,(H,30,32).
What are the key properties of N,3-dihydroxy-2-[(4-methoxyphenyl)methyl]-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]propanamide?
N,3-dihydroxy-2-[(4-methoxyphenyl)methyl]-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]propanamide has a molecular weight of 472.54 g/mol, XLogP of 4.53, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dihydroxy-2-[(4-methoxyphenyl)methyl]-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]propanamide is sourced from PubChem (CID 10367542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).