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

C23H23N3O4 — CID 24799617

IUPACtrans-(1R,2R)-2-N-hydroxy-1-N-methyl-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide
SMILESCNC(=O)[C@]1(c2cccc(OCc3cc(C)nc4ccccc34)c2)C[C@H]1C(=O)NO
InChIInChI=1S/C23H23N3O4/c1-14-10-15(18-8-3-4-9-20(18)25-14)13-30-17-7-5-6-16(11-17)23(22(28)24-2)12-19(23)21(27)26-29/h3-11,19,29H,12-13H2,1-2H3,(H,24,28)(H,26,27)/t19-,23-/m0/s1
InChIKeyAHGWEVJBCPZWCU-CVDCTZTESA-N
MW405.45 g/mol
LogP2.63
Rot. Bonds6

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

trans-(1R,2R)-2-N-hydroxy-1-N-methyl-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide (PubChem CID 24799617) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is trans-(1R,2R)-2-N-hydroxy-1-N-methyl-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-N-hydroxy-1-N-methyl-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide
PubChem CID24799617
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Nametrans-(1R,2R)-2-N-hydroxy-1-N-methyl-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide
SMILESCNC(=O)[C@]1(c2cccc(OCc3cc(C)nc4ccccc34)c2)C[C@H]1C(=O)NO
InChIInChI=1S/C23H23N3O4/c1-14-10-15(18-8-3-4-9-20(18)25-14)13-30-17-7-5-6-16(11-17)23(22(28)24-2)12-19(23)21(27)26-29/h3-11,19,29H,12-13H2,1-2H3,(H,24,28)(H,26,27)/t19-,23-/m0/s1
InChIKeyAHGWEVJBCPZWCU-CVDCTZTESA-N
XLogP2.63
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 52.63
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'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-N-hydroxy-1-N-methyl-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of trans-(1R,2R)-2-N-hydroxy-1-N-methyl-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide (CID 24799617) is trans-(1R,2R)-2-N-hydroxy-1-N-methyl-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-N-methyl-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for trans-(1R,2R)-2-N-hydroxy-1-N-methyl-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide is CNC(=O)[C@]1(c2cccc(OCc3cc(C)nc4ccccc34)c2)C[C@H]1C(=O)NO.
What is the InChIKey of trans-(1R,2R)-2-N-hydroxy-1-N-methyl-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is AHGWEVJBCPZWCU-CVDCTZTESA-N. The full InChI is InChI=1S/C23H23N3O4/c1-14-10-15(18-8-3-4-9-20(18)25-14)13-30-17-7-5-6-16(11-17)23(22(28)24-2)12-19(23)21(27)26-29/h3-11,19,29H,12-13H2,1-2H3,(H,24,28)(H,26,27)/t19-,23-/m0/s1.
What are the key properties of trans-(1R,2R)-2-N-hydroxy-1-N-methyl-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide?
trans-(1R,2R)-2-N-hydroxy-1-N-methyl-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 405.45 g/mol, XLogP of 2.63, 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-N-methyl-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 24799617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).