cis-(1R,2S)-1-N-benzyl-2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide

C59H57N7O8 — CID 159408287

IUPACcis-(1R,2S)-1-N-benzyl-2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
SMILESCc1cc(COc2ccc(C[C@]3(C(=O)NCc4ccccc4)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1.Cc1cc(COc2ccc(C[C@]3(C(=O)NCc4cccnc4)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C30H29N3O4.C29H28N4O4/c1-20-15-23(25-9-5-6-10-27(25)32-20)19-37-24-13-11-21(12-14-24)16-30(17-26(30)28(34)33-36)29(35)31-18-22-7-3-2-4-8-22;1-19-13-22(24-6-2-3-7-26(24)32-19)18-37-23-10-8-20(9-11-23)14-29(15-25(29)27(34)33-36)28(35)31-17-21-5-4-12-30-16-21/h2-15,26,36H,16-19H2,1H3,(H,31,35)(H,33,34);2-13,16,25,36H,14-15,17-18H2,1H3,(H,31,35)(H,33,34)/t26-,30+;25-,29+/m11/s1
InChIKeyLOGCAXKMMACTJA-KHIHNZIESA-N
MW992.15 g/mol
LogP8.38
Rot. Bonds18

About cis-(1R,2S)-1-N-benzyl-2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide

cis-(1R,2S)-1-N-benzyl-2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide (PubChem CID 159408287) has the molecular formula C59H57N7O8 and a molecular weight of 992.15 g/mol. Its IUPAC name is cis-(1R,2S)-1-N-benzyl-2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-1-N-benzyl-2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
PubChem CID159408287
Molecular FormulaC59H57N7O8
Molecular Weight992.15 g/mol
Exact Mass991.43
IUPAC Namecis-(1R,2S)-1-N-benzyl-2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
SMILESCc1cc(COc2ccc(C[C@]3(C(=O)NCc4ccccc4)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1.Cc1cc(COc2ccc(C[C@]3(C(=O)NCc4cccnc4)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C30H29N3O4.C29H28N4O4/c1-20-15-23(25-9-5-6-10-27(25)32-20)19-37-24-13-11-21(12-14-24)16-30(17-26(30)28(34)33-36)29(35)31-18-22-7-3-2-4-8-22;1-19-13-22(24-6-2-3-7-26(24)32-19)18-37-23-10-8-20(9-11-23)14-29(15-25(29)27(34)33-36)28(35)31-17-21-5-4-12-30-16-21/h2-15,26,36H,16-19H2,1H3,(H,31,35)(H,33,34);2-13,16,25,36H,14-15,17-18H2,1H3,(H,31,35)(H,33,34)/t26-,30+;25-,29+/m11/s1
InChIKeyLOGCAXKMMACTJA-KHIHNZIESA-N
XLogP8.38
TPSA213.99 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds18
Heavy Atoms74
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500992.15
LogP ≤ 58.38
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze cis-(1R,2S)-1-N-benzyl-2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide with MolForge

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Related Compounds

2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 20748584
cis-(1R,2S)-1-N-tert-butyl-2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide
CID 59978422
2-N-hydroxy-1-N,1-N-dimethyl-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide
CID 20748602
cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(2-pyridin-3-ylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate
CID 44581112
methyl (2S)-2-[[(1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropanecarbonyl]amino]-3-methylbutanoate
CID 59978446
2-N-hydroxy-1-N-[(4-methoxyphenyl)methyl]-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 20748512
cis-(1S,2R)-2-methoxycarbonyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylic acid
CID 24800832
cis-(1R,2S)-1-[[4-[(2-ethylquinolin-4-yl)methoxy]phenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide
CID 44581138
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-ethyl (1R,2S)-2-[[(2S)-3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate
CID 59978428
N,3-dihydroxy-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-(pyridin-3-ylmethyl)propanamide
CID 10456088

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-1-N-benzyl-2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of cis-(1R,2S)-1-N-benzyl-2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide (CID 159408287) is cis-(1R,2S)-1-N-benzyl-2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for cis-(1R,2S)-1-N-benzyl-2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for cis-(1R,2S)-1-N-benzyl-2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide is Cc1cc(COc2ccc(C[C@]3(C(=O)NCc4ccccc4)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1.Cc1cc(COc2ccc(C[C@]3(C(=O)NCc4cccnc4)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1.
What is the InChIKey of cis-(1R,2S)-1-N-benzyl-2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is LOGCAXKMMACTJA-KHIHNZIESA-N. The full InChI is InChI=1S/C30H29N3O4.C29H28N4O4/c1-20-15-23(25-9-5-6-10-27(25)32-20)19-37-24-13-11-21(12-14-24)16-30(17-26(30)28(34)33-36)29(35)31-18-22-7-3-2-4-8-22;1-19-13-22(24-6-2-3-7-26(24)32-19)18-37-23-10-8-20(9-11-23)14-29(15-25(29)27(34)33-36)28(35)31-17-21-5-4-12-30-16-21/h2-15,26,36H,16-19H2,1H3,(H,31,35)(H,33,34);2-13,16,25,36H,14-15,17-18H2,1H3,(H,31,35)(H,33,34)/t26-,30+;25-,29+/m11/s1.
What are the key properties of cis-(1R,2S)-1-N-benzyl-2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide?
cis-(1R,2S)-1-N-benzyl-2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 992.15 g/mol, XLogP of 8.38, 18 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1-N-benzyl-2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 159408287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).