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

C29H28N4O4 — CID 20748584

IUPAC2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
SMILESCc1cc(COc2ccc(CC3(C(=O)NCc4cccnc4)CC3C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C29H28N4O4/c1-19-13-22(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/h2-13,16,25,36H,14-15,17-18H2,1H3,(H,31,35)(H,33,34)
InChIKeyLWGVOPCLVPNEPT-UHFFFAOYSA-N
MW496.57 g/mol
LogP3.89
Rot. Bonds9

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

2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide (PubChem CID 20748584) has the molecular formula C29H28N4O4 and a molecular weight of 496.57 g/mol. Its IUPAC name is 2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
PubChem CID20748584
Molecular FormulaC29H28N4O4
Molecular Weight496.57 g/mol
Exact Mass496.21
IUPAC Name2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
SMILESCc1cc(COc2ccc(CC3(C(=O)NCc4cccnc4)CC3C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C29H28N4O4/c1-19-13-22(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/h2-13,16,25,36H,14-15,17-18H2,1H3,(H,31,35)(H,33,34)
InChIKeyLWGVOPCLVPNEPT-UHFFFAOYSA-N
XLogP3.89
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 53.89
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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
cis-(1S,2R)-2-methoxycarbonyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylic acid
CID 24800832
2-N-hydroxy-1-N-[(4-methoxyphenyl)methyl]-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 20748512
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 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 2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide (CID 20748584) is 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 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 2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide is Cc1cc(COc2ccc(CC3(C(=O)NCc4cccnc4)CC3C(=O)NO)cc2)c2ccccc2n1.
What is the InChIKey of 2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is LWGVOPCLVPNEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O4/c1-19-13-22(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/h2-13,16,25,36H,14-15,17-18H2,1H3,(H,31,35)(H,33,34).
What are the key properties of 2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide?
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 496.57 g/mol, XLogP of 3.89, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 20748584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).