N-hydroxy-6-[5-hydroxy-4-oxo-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-7-yl]oxyhexanamide;hydrochloride

C27H33ClN2O7 — CID 162676106

IUPACN-hydroxy-6-[5-hydroxy-4-oxo-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-7-yl]oxyhexanamide;hydrochloride
SMILESCl.O=C(CCCCCOc1cc(O)c2c(=O)cc(-c3ccc(OCCN4CCCC4)cc3)oc2c1)NO
InChIInChI=1S/C27H32N2O7.ClH/c30-22-16-21(34-14-5-1-2-6-26(32)28-33)17-25-27(22)23(31)18-24(36-25)19-7-9-20(10-8-19)35-15-13-29-11-3-4-12-29;/h7-10,16-18,30,33H,1-6,11-15H2,(H,28,32);1H
InChIKeyJCZLSUBNEMRMTH-UHFFFAOYSA-N
MW533.02 g/mol
LogP4.51
Rot. Bonds12

About N-hydroxy-6-[5-hydroxy-4-oxo-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-7-yl]oxyhexanamide;hydrochloride

N-hydroxy-6-[5-hydroxy-4-oxo-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-7-yl]oxyhexanamide;hydrochloride (PubChem CID 162676106) has the molecular formula C27H33ClN2O7 and a molecular weight of 533.02 g/mol. Its IUPAC name is N-hydroxy-6-[5-hydroxy-4-oxo-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-7-yl]oxyhexanamide;hydrochloride.

Molecular Properties

Compound NameN-hydroxy-6-[5-hydroxy-4-oxo-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-7-yl]oxyhexanamide;hydrochloride
PubChem CID162676106
Molecular FormulaC27H33ClN2O7
Molecular Weight533.02 g/mol
Exact Mass532.20
IUPAC NameN-hydroxy-6-[5-hydroxy-4-oxo-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-7-yl]oxyhexanamide;hydrochloride
SMILESCl.O=C(CCCCCOc1cc(O)c2c(=O)cc(-c3ccc(OCCN4CCCC4)cc3)oc2c1)NO
InChIInChI=1S/C27H32N2O7.ClH/c30-22-16-21(34-14-5-1-2-6-26(32)28-33)17-25-27(22)23(31)18-24(36-25)19-7-9-20(10-8-19)35-15-13-29-11-3-4-12-29;/h7-10,16-18,30,33H,1-6,11-15H2,(H,28,32);1H
InChIKeyJCZLSUBNEMRMTH-UHFFFAOYSA-N
XLogP4.51
TPSA121.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.02
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-6-[5-hydroxy-4-oxo-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-7-yl]oxyhexanamide
CID 162676107
8-[2-[4-[3-(dimethylamino)propoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyoctanamide
CID 162668963
8-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyoctanamide
CID 159103073
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-(2-piperidin-1-ylethoxy)chromen-4-one;hydrochloride
CID 142688405
7-hexoxy-2-(4-hexoxyphenyl)-5-hydroxychromen-4-one
CID 132568297
8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanoic acid
CID 172994915
5-hydroxy-7-(2-morpholin-4-ylethoxy)-2-(3,4,5-trihydroxyphenyl)chromen-4-one;hydrochloride
CID 142688406
7-(8-bromooctoxy)-5-hydroxy-2-phenylchromen-4-one
CID 172994912
5-hydroxy-7-(3-methylbut-2-enoxy)-2-[4-(3-methylbut-2-enoxy)phenyl]chromen-4-one
CID 131859007
5-hydroxy-7-[2-(2-morpholin-4-ylethylamino)ethoxy]-2-phenylchromen-4-one
CID 134122328
5-hydroxy-7-(2-hydroxyethoxy)-2-phenylchromen-4-one
CID 15896568
5-methoxy-2-[4-(3-piperidin-1-ylpropoxy)phenyl]chromen-4-one
CID 147416054

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-[5-hydroxy-4-oxo-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-7-yl]oxyhexanamide;hydrochloride?
The IUPAC name of N-hydroxy-6-[5-hydroxy-4-oxo-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-7-yl]oxyhexanamide;hydrochloride (CID 162676106) is N-hydroxy-6-[5-hydroxy-4-oxo-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-7-yl]oxyhexanamide;hydrochloride.
What is the SMILES notation for N-hydroxy-6-[5-hydroxy-4-oxo-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-7-yl]oxyhexanamide;hydrochloride?
The canonical SMILES for N-hydroxy-6-[5-hydroxy-4-oxo-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-7-yl]oxyhexanamide;hydrochloride is Cl.O=C(CCCCCOc1cc(O)c2c(=O)cc(-c3ccc(OCCN4CCCC4)cc3)oc2c1)NO.
What is the InChIKey of N-hydroxy-6-[5-hydroxy-4-oxo-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-7-yl]oxyhexanamide;hydrochloride?
The InChIKey is JCZLSUBNEMRMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O7.ClH/c30-22-16-21(34-14-5-1-2-6-26(32)28-33)17-25-27(22)23(31)18-24(36-25)19-7-9-20(10-8-19)35-15-13-29-11-3-4-12-29;/h7-10,16-18,30,33H,1-6,11-15H2,(H,28,32);1H.
What are the key properties of N-hydroxy-6-[5-hydroxy-4-oxo-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-7-yl]oxyhexanamide;hydrochloride?
N-hydroxy-6-[5-hydroxy-4-oxo-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-7-yl]oxyhexanamide;hydrochloride has a molecular weight of 533.02 g/mol, XLogP of 4.51, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[5-hydroxy-4-oxo-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-7-yl]oxyhexanamide;hydrochloride is sourced from PubChem (CID 162676106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).