trans-(1R,2R)-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide

C22H21N3O4 — CID 24800829

IUPACtrans-(1R,2R)-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide
SMILESCc1cc(COc2cccc([C@@]3(C(N)=O)C[C@H]3C(=O)NO)c2)c2ccccc2n1
InChIInChI=1S/C22H21N3O4/c1-13-9-14(17-7-2-3-8-19(17)24-13)12-29-16-6-4-5-15(10-16)22(21(23)27)11-18(22)20(26)25-28/h2-10,18,28H,11-12H2,1H3,(H2,23,27)(H,25,26)/t18-,22-/m0/s1
InChIKeyLOEOATDRPRNXBR-AVRDEDQJSA-N
MW391.43 g/mol
LogP2.37
Rot. Bonds6

About trans-(1R,2R)-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide

trans-(1R,2R)-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide (PubChem CID 24800829) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is trans-(1R,2R)-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide
PubChem CID24800829
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Nametrans-(1R,2R)-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide
SMILESCc1cc(COc2cccc([C@@]3(C(N)=O)C[C@H]3C(=O)NO)c2)c2ccccc2n1
InChIInChI=1S/C22H21N3O4/c1-13-9-14(17-7-2-3-8-19(17)24-13)12-29-16-6-4-5-15(10-16)22(21(23)27)11-18(22)20(26)25-28/h2-10,18,28H,11-12H2,1H3,(H2,23,27)(H,25,26)/t18-,22-/m0/s1
InChIKeyLOEOATDRPRNXBR-AVRDEDQJSA-N
XLogP2.37
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze trans-(1R,2R)-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]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

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of trans-(1R,2R)-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide (CID 24800829) is trans-(1R,2R)-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for trans-(1R,2R)-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for trans-(1R,2R)-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide is Cc1cc(COc2cccc([C@@]3(C(N)=O)C[C@H]3C(=O)NO)c2)c2ccccc2n1.
What is the InChIKey of trans-(1R,2R)-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is LOEOATDRPRNXBR-AVRDEDQJSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-13-9-14(17-7-2-3-8-19(17)24-13)12-29-16-6-4-5-15(10-16)22(21(23)27)11-18(22)20(26)25-28/h2-10,18,28H,11-12H2,1H3,(H2,23,27)(H,25,26)/t18-,22-/m0/s1.
What are the key properties of trans-(1R,2R)-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide?
trans-(1R,2R)-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 391.43 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 24800829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).