2-[3-amino-2-oxo-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]-N-hydroxycyclohexane-1-carboxamide

C27H30N4O4 — CID 10116341

IUPAC2-[3-amino-2-oxo-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]-N-hydroxycyclohexane-1-carboxamide
SMILESNC1(c2ccc(OCc3ccnc4ccccc34)cc2)CCN(C2CCCCC2C(=O)NO)C1=O
InChIInChI=1S/C27H30N4O4/c28-27(14-16-31(26(27)33)24-8-4-2-6-22(24)25(32)30-34)19-9-11-20(12-10-19)35-17-18-13-15-29-23-7-3-1-5-21(18)23/h1,3,5,7,9-13,15,22,24,34H,2,4,6,8,14,16-17,28H2,(H,30,32)
InChIKeyDSHYXCSQCPBXLK-UHFFFAOYSA-N
MW474.56 g/mol
LogP3.26
Rot. Bonds6

About 2-[3-amino-2-oxo-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]-N-hydroxycyclohexane-1-carboxamide

2-[3-amino-2-oxo-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]-N-hydroxycyclohexane-1-carboxamide (PubChem CID 10116341) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is 2-[3-amino-2-oxo-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]-N-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-[3-amino-2-oxo-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]-N-hydroxycyclohexane-1-carboxamide
PubChem CID10116341
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC Name2-[3-amino-2-oxo-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]-N-hydroxycyclohexane-1-carboxamide
SMILESNC1(c2ccc(OCc3ccnc4ccccc34)cc2)CCN(C2CCCCC2C(=O)NO)C1=O
InChIInChI=1S/C27H30N4O4/c28-27(14-16-31(26(27)33)24-8-4-2-6-22(24)25(32)30-34)19-9-11-20(12-10-19)35-17-18-13-15-29-23-7-3-1-5-21(18)23/h1,3,5,7,9-13,15,22,24,34H,2,4,6,8,14,16-17,28H2,(H,30,32)
InChIKeyDSHYXCSQCPBXLK-UHFFFAOYSA-N
XLogP3.26
TPSA117.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 53.26
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

2-[3-amino-2-oxo-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]cyclopentane-1-carboxylic acid
CID 10225539
trans-(1R,2R)-2-[(3S)-3-amino-3-[4-[2-(2-methylquinolin-4-yl)ethoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxycyclopentane-1-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 159376121
2-[3-amino-2-oxo-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
CID 10389612
1-methyl-3-oxo-2-[4-(quinolin-4-ylmethoxy)phenyl]-2,5,6,7,8,8a-hexahydro-1H-indolizine-5-carboxamide
CID 142260488
2-[3-amino-3-[4-[[2-(2,2-dimethylcyclopropyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
CID 11455368
(2R)-2-[(3R)-3-amino-2-oxo-3-[4-[(2-phenylmethoxyquinolin-4-yl)methoxy]phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
CID 90668112
N-[2-(azetidin-1-yl)-6-(hydroxycarbamoyl)cyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 20729933
2-[3-amino-3-[4-[[2-(4-methylsulfanylphenyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
CID 11227054
(2R,3R)-3-N-hydroxy-1-methyl-2-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-2,3-dicarboxamide;2,2,2-trifluoroacetic acid
CID 87978056
2-(quinolin-4-ylmethyl)cyclohexane-1-carboxylic acid
CID 81007961
benzyl (3R)-3-(hydroxycarbamoyl)-2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]diazinane-1-carboxylate;2,2,2-trifluoroacetic acid
CID 161090120
2-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-2-cyclohexyl-N-hydroxyacetamide
CID 23001669

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-2-oxo-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]-N-hydroxycyclohexane-1-carboxamide?
The IUPAC name of 2-[3-amino-2-oxo-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]-N-hydroxycyclohexane-1-carboxamide (CID 10116341) is 2-[3-amino-2-oxo-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]-N-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for 2-[3-amino-2-oxo-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]-N-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for 2-[3-amino-2-oxo-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]-N-hydroxycyclohexane-1-carboxamide is NC1(c2ccc(OCc3ccnc4ccccc34)cc2)CCN(C2CCCCC2C(=O)NO)C1=O.
What is the InChIKey of 2-[3-amino-2-oxo-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]-N-hydroxycyclohexane-1-carboxamide?
The InChIKey is DSHYXCSQCPBXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c28-27(14-16-31(26(27)33)24-8-4-2-6-22(24)25(32)30-34)19-9-11-20(12-10-19)35-17-18-13-15-29-23-7-3-1-5-21(18)23/h1,3,5,7,9-13,15,22,24,34H,2,4,6,8,14,16-17,28H2,(H,30,32).
What are the key properties of 2-[3-amino-2-oxo-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]-N-hydroxycyclohexane-1-carboxamide?
2-[3-amino-2-oxo-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]-N-hydroxycyclohexane-1-carboxamide has a molecular weight of 474.56 g/mol, XLogP of 3.26, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-2-oxo-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]-N-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 10116341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).