2-[3-amino-3-[4-[[2-(2,2-dimethylcyclopropyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide

C31H38N4O4 — CID 11455368

IUPAC2-[3-amino-3-[4-[[2-(2,2-dimethylcyclopropyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
SMILESCC(C)CC(C(=O)NO)N1CCC(N)(c2ccc(OCc3cc(C4CC4(C)C)nc4ccccc34)cc2)C1=O
InChIInChI=1S/C31H38N4O4/c1-19(2)15-27(28(36)34-38)35-14-13-31(32,29(35)37)21-9-11-22(12-10-21)39-18-20-16-26(24-17-30(24,3)4)33-25-8-6-5-7-23(20)25/h5-12,16,19,24,27,38H,13-15,17-18,32H2,1-4H3,(H,34,36)
InChIKeyVBNYVMARLVWHCS-UHFFFAOYSA-N
MW530.67 g/mol
LogP4.63
Rot. Bonds9

About 2-[3-amino-3-[4-[[2-(2,2-dimethylcyclopropyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide

2-[3-amino-3-[4-[[2-(2,2-dimethylcyclopropyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide (PubChem CID 11455368) has the molecular formula C31H38N4O4 and a molecular weight of 530.67 g/mol. Its IUPAC name is 2-[3-amino-3-[4-[[2-(2,2-dimethylcyclopropyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide.

Molecular Properties

Compound Name2-[3-amino-3-[4-[[2-(2,2-dimethylcyclopropyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
PubChem CID11455368
Molecular FormulaC31H38N4O4
Molecular Weight530.67 g/mol
Exact Mass530.29
IUPAC Name2-[3-amino-3-[4-[[2-(2,2-dimethylcyclopropyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
SMILESCC(C)CC(C(=O)NO)N1CCC(N)(c2ccc(OCc3cc(C4CC4(C)C)nc4ccccc34)cc2)C1=O
InChIInChI=1S/C31H38N4O4/c1-19(2)15-27(28(36)34-38)35-14-13-31(32,29(35)37)21-9-11-22(12-10-21)39-18-20-16-26(24-17-30(24,3)4)33-25-8-6-5-7-23(20)25/h5-12,16,19,24,27,38H,13-15,17-18,32H2,1-4H3,(H,34,36)
InChIKeyVBNYVMARLVWHCS-UHFFFAOYSA-N
XLogP4.63
TPSA117.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.67
LogP ≤ 54.63
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-3-[4-[[2-(2,2-dimethylcyclopropyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide?
The IUPAC name of 2-[3-amino-3-[4-[[2-(2,2-dimethylcyclopropyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide (CID 11455368) is 2-[3-amino-3-[4-[[2-(2,2-dimethylcyclopropyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide.
What is the SMILES notation for 2-[3-amino-3-[4-[[2-(2,2-dimethylcyclopropyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide?
The canonical SMILES for 2-[3-amino-3-[4-[[2-(2,2-dimethylcyclopropyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide is CC(C)CC(C(=O)NO)N1CCC(N)(c2ccc(OCc3cc(C4CC4(C)C)nc4ccccc34)cc2)C1=O.
What is the InChIKey of 2-[3-amino-3-[4-[[2-(2,2-dimethylcyclopropyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide?
The InChIKey is VBNYVMARLVWHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N4O4/c1-19(2)15-27(28(36)34-38)35-14-13-31(32,29(35)37)21-9-11-22(12-10-21)39-18-20-16-26(24-17-30(24,3)4)33-25-8-6-5-7-23(20)25/h5-12,16,19,24,27,38H,13-15,17-18,32H2,1-4H3,(H,34,36).
What are the key properties of 2-[3-amino-3-[4-[[2-(2,2-dimethylcyclopropyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide?
2-[3-amino-3-[4-[[2-(2,2-dimethylcyclopropyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide has a molecular weight of 530.67 g/mol, XLogP of 4.63, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-3-[4-[[2-(2,2-dimethylcyclopropyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide is sourced from PubChem (CID 11455368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).