cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide

C28H25N3O4 — CID 24978491

IUPACcis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide
SMILESNC(=O)[C@@]1(Cc2ccc(OCc3cc(-c4ccccc4)nc4ccccc34)cc2)C[C@@H]1C(=O)NO
InChIInChI=1S/C28H25N3O4/c29-27(33)28(16-23(28)26(32)31-34)15-18-10-12-21(13-11-18)35-17-20-14-25(19-6-2-1-3-7-19)30-24-9-5-4-8-22(20)24/h1-14,23,34H,15-17H2,(H2,29,33)(H,31,32)/t23-,28+/m1/s1
InChIKeyBKHGWMSYWJIRLD-LXFBAYGMSA-N
MW467.53 g/mol
LogP4.02
Rot. Bonds8

About cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide

cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide (PubChem CID 24978491) has the molecular formula C28H25N3O4 and a molecular weight of 467.53 g/mol. Its IUPAC name is cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide
PubChem CID24978491
Molecular FormulaC28H25N3O4
Molecular Weight467.53 g/mol
Exact Mass467.18
IUPAC Namecis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide
SMILESNC(=O)[C@@]1(Cc2ccc(OCc3cc(-c4ccccc4)nc4ccccc34)cc2)C[C@@H]1C(=O)NO
InChIInChI=1S/C28H25N3O4/c29-27(33)28(16-23(28)26(32)31-34)15-18-10-12-21(13-11-18)35-17-20-14-25(19-6-2-1-3-7-19)30-24-9-5-4-8-22(20)24/h1-14,23,34H,15-17H2,(H2,29,33)(H,31,32)/t23-,28+/m1/s1
InChIKeyBKHGWMSYWJIRLD-LXFBAYGMSA-N
XLogP4.02
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 54.02
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 cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide (CID 24978491) is cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide is NC(=O)[C@@]1(Cc2ccc(OCc3cc(-c4ccccc4)nc4ccccc34)cc2)C[C@@H]1C(=O)NO.
What is the InChIKey of cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is BKHGWMSYWJIRLD-LXFBAYGMSA-N. The full InChI is InChI=1S/C28H25N3O4/c29-27(33)28(16-23(28)26(32)31-34)15-18-10-12-21(13-11-18)35-17-20-14-25(19-6-2-1-3-7-19)30-24-9-5-4-8-22(20)24/h1-14,23,34H,15-17H2,(H2,29,33)(H,31,32)/t23-,28+/m1/s1.
What are the key properties of cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide?
cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 467.53 g/mol, XLogP of 4.02, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 24978491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).